2-Methylcyclohexyl 2-ethylbutanoate
Basic information
- CAS
5436-59-9- Standard SMILES
CCC(CC)C(=O)OC1CCCCC1C- InChIKey
ICZBTBYHEIJBMG-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 2-Methylcyclohexyl 2-ethylbutanoate
- IUPAC
- (2-methylcyclohexyl) 2-ethylbutanoate
Names & synonyms
5436-59-92-methylcyclohexyl 2-ethylbutanoateNSC21745DTXSID80281451NSC-21745
Database identifiers
- CAS
5436-59-9- PubChem CID
- 228650
- DTXSID
DTXSID80281451
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…