Basic information
- CAS
72727-55-0- Standard SMILES
CC(C)=CCCC1=CCC(C)(C(=O)OCC(C)C)CC1- InChIKey
CBAABHLYEHHMIM-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
- IUPAC
- 2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
- English name
- 2-methylpropyl 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
EINECS 276-788-7DTXSID708881701-Methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid, 2-methylpropyl ester3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl esterRefChem:500751DTXCID90102745272727-55-02-Methylpropyl 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylateCBAABHLYEHHMIM-UHFFFAOYSA-N2-METHYLPROPYL 1-METHYL-4-(4-METHYLPENT-3-EN-1-YL)CYCLOHEX-3-ENE-1-CARBOXYLATENS00062357
Show more names
1-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylic acid 2-methylpropyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl ester (72727-55-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…