Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-
Basic information
- CAS
30346-23-7- Standard SMILES
COC(=O)/C=C1/CCCC(C)(C)C1- InChIKey
COTFKVCHGYBTDB-CLFYSBASSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-
- IUPAC
- methyl (2Z)-2-(3,3-dimethylcyclohexylidene)acetate
Names & synonyms
Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-30346-23-7Acetic acid, 2-(3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-METHYL 2-[(1Z)-3,3-DIMETHYLCYCLOHEXYLIDENE]ACETATEAcetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2E)-Acetic acid, 2-(3,3-dimethylcyclohexylidene)-, methyl ester, (2E)-Methyl trans-3,3-dimethylcyclohexylidene acetateSCHEMBL16883864DTXSID20885472COTFKVCHGYBTDB-CLFYSBASSA-NAKOS020183984EN300-1455234
Show more names
EN300-1621815Methyl (2Z)-(3,3-dimethylcyclohexylidene)acetate
Database identifiers
- CAS
30346-23-7、30346-25-9- PubChem CID
- 6438293
- DTXSID
DTXSID20885472- Nikkaji
- J422.244J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Acetic acid, 2-(3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-: ACTIVE
Acetic acid, 2-(3,3-dimethylcyclohexylidene)-, methyl ester, (2E)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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