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Record Information
Version1.0
Created at2020-11-23 19:43:15 UTC
Updated at2021-08-19 23:59:31 UTC
NP-MRD IDNP0002903
Secondary Accession NumbersNone
Natural Product Identification
Common NameOctamethylcyclotetrasiloxane
Provided ByBMRBBMRB logo
DescriptionOctamethylcyclotetrasiloxane is also known as cyclic dimethylsiloxane tetramer. It was first documented in 2008 (PMID: 17984079). Based on a literature review a significant number of articles have been published on octamethylcyclotetrasiloxane (PMID: 23200569) (PMID: 24012894) (PMID: 24279694) (PMID: 34333428) (PMID: 34252803) (PMID: 33714348).
Structure
Thumb
Synonyms
ValueSource
2,2,4,4,6,6,8,8-Octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocaneChEBI
Cyclic dimethylsiloxane tetramerChEBI
OktamethylzyklotetrasiloxanChEBI
OctamethylcyclotetrasiloxaneMeSH
Chemical FormulaC8H24O4Si4
Average Mass296.6160 Da
Monoisotopic Mass296.07517 Da
IUPAC Nameoctamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
Traditional Nameoctamethylcyclotetrasiloxane
CAS Registry NumberNot Available
SMILES
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChI Identifier
InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3
InChI KeyHMMGMWAXVFQUOA-UHFFFAOYSA-N
Spectra
Spectrum TypeDescriptionDepositor IDDeposition DateView
1D NMR13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, CDCl3, experimental)Wishart Lab2021-06-20View Spectrum
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting Point17.50 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point175.80 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.005 mg/L @ 25 °C (exp)The Good Scents Company Information System
LogP5.100The Good Scents Company Information System
Predicted Properties
PropertyValueSource
logP3.56ALOGPS
logP0.77ChemAxon
logS-3.3ALOGPS
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area36.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity52.97 m³·mol⁻¹ChemAxon
Polarizability28.18 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10696
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOctamethylcyclotetrasiloxane
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID25640
Good Scents IDrw1270541
References
General References
  1. Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
  2. Woodburn K, Drottar K, Domoradzki J, Durham J, McNett D, Jezowski R: Determination of the dietary biomagnification of octamethylcyclotetrasiloxane and decamethylcyclopentasiloxane with the rainbow trout (Oncorhynchus mykiss). Chemosphere. 2013 Oct;93(5):779-88. doi: 10.1016/j.chemosphere.2012.10.049. Epub 2012 Nov 28. [PubMed:23200569 ]
  3. Surita SC, Tansel B: Emergence and fate of cyclic volatile polydimethylsiloxanes (D4, D5) in municipal waste streams: release mechanisms, partitioning and persistence in air, water, soil and sediments. Sci Total Environ. 2014 Jan 15;468-469:46-52. doi: 10.1016/j.scitotenv.2013.08.006. Epub 2013 Sep 4. [PubMed:24012894 ]
  4. Borga K, Fjeld E, Kierkegaard A, McLachlan MS: Consistency in trophic magnification factors of cyclic methyl siloxanes in pelagic freshwater food webs leading to brown trout. Environ Sci Technol. 2013 Dec 17;47(24):14394-402. doi: 10.1021/es404374j. Epub 2013 Nov 26. [PubMed:24279694 ]
  5. Boada E, Santos-Clotas E, Cabrera-Codony A, Martin MJ, Baneras L, Gich F: The core microbiome is responsible for volatile silicon and organic compounds degradation during anoxic lab scale biotrickling filter performance. Sci Total Environ. 2021 Jul 21;798:149162. doi: 10.1016/j.scitotenv.2021.149162. [PubMed:34333428 ]
  6. Xu S, Vogel A: Measuring snow scavenging of two airborne cyclic volatile methylsiloxanes under controlled conditions. Chemosphere. 2021 Jul 3;285:131291. doi: 10.1016/j.chemosphere.2021.131291. [PubMed:34252803 ]
  7. Lim H, Park Y, Baek N, Jun SY, Lee S, Yang J, Jung D, Yu S: Plasma Polymerized SiCOH Films from Octamethylcyclotetrasiloxane by Dual Radio Frequency Inductively Coupled Plasma Chemical Vapor Deposition System. J Nanosci Nanotechnol. 2021 Aug 1;21(8):4477-4483. doi: 10.1166/jnn.2021.19417. [PubMed:33714348 ]