Basic information
- CAS
146918-70-9- Standard SMILES
COC(=O)C1(C)CC=C(CCC=C(C)C)CC1- InChIKey
GEIXAIBGXQKPFP-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, methyl ester
- IUPAC
- methyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
- English name
- 1-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylic acid methyl ester
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
21280-30-8DTXSID908851663-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, methyl ester3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, methyl esterRefChem:500752DTXCID908762511-Carbomethoxy-1-methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene1-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylic acid methyl esterMETHYL 1-METHYL-4-(4-METHYLPENT-3-EN-1-YL)CYCLOHEX-3-ENE-1-CARBOXYLATEDTXSID90275861GEIXAIBGXQKPFP-UHFFFAOYSA-N146918-70-9
Database identifiers
- CAS
146918-70-9、21280-30-8- PubChem CID
- 89480
- DTXSID
DTXSID90275861- Nikkaji
- J24.352C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 144 · 144-146 °C(Press: 10 Torr)
- Density
- 0.955 g/cm3 · 0.955 g/cm3
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, methyl ester (21280-30-8)
- 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)-, methyl 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)-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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