Basic information
- CAS
5443-14-1- Standard SMILES
COC(=O)C1CC=C(C)CC1- InChIKey
JNDBPUPULVCVFC-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- Methyl 4-methyl-3-cyclohexene-1-carboxylate
- IUPAC
- methyl 4-methylcyclohex-3-ene-1-carboxylate
Names & synonyms
Methyl 4-methyl-3-cyclohexene-1-carboxylate5443-14-1DTXSID802796764-Methoxycarbonyl-1-methylcyclohexene3-Cyclohexene-1-carboxylic acid, 4-methyl-, methyl esterRefChem:355787DTXCID50230830JNDBPUPULVCVFC-UHFFFAOYSA-Nmethyl 4-methylcyclohex-3-ene-1-carboxylate6493-79-4MFCD22200470NSC13690
Show more names
SCHEMBL9816400NSC-13690AKOS000365378AKOS022170526SS-4756Methyl 4-Methyl-3-cyclohexenecarboxylateSY374760DS-011452
Database identifiers
- CAS
5443-14-1- PubChem CID
- 224855
- DTXSID
DTXSID80279676- Nikkaji
- J122.126D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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