Np mrd loader

Record Information
Version2.0
Created at2024-09-11 11:43:09 UTC
Updated at2024-09-11 11:43:09 UTC
NP-MRD IDNP0337637
Secondary Accession NumbersNone
Natural Product Identification
Common NameMenthyl ethylene glycol carbonate
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC13H24O4
Average Mass244.3310 Da
Monoisotopic Mass244.16746 Da
IUPAC Name2-[({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]ethan-1-ol
Traditional Name2-({[(2-isopropyl-5-methylcyclohexyl)oxy]carbonyl}oxy)ethanol
CAS Registry NumberNot Available
SMILES
CC(C)C1CCC(C)CC1OC(=O)OCCO
InChI Identifier
InChI=1/C13H24O4/c1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3
InChI KeyJFKCVAZSEWPOIX-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP3.03ChemAxon
pKa (Strongest Acidic)15.09ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.76 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity64.51 m³·mol⁻¹ChemAxon
Polarizability28.03 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
External LinksNot Available
References
General ReferencesNot Available