Basic information
- CAS
6624-88-0- Standard SMILES
CC(=O)CC(=O)OC1CCC(C)CC1- InChIKey
VQISRCWWHKSFQD-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- (4-Methylcyclohexyl) 3-oxobutanoate
- IUPAC
- (4-methylcyclohexyl) 3-oxobutanoate
- English name
- (4-methylcyclohexyl) 3-oxobutanoate
- Molecular formula
- C11H18O3
- Molecular weight
- 198.26
Names & synonyms
6624-88-0(4-methylcyclohexyl) 3-oxobutanoate4-methylcyclohexyl 3-oxobutanoateNSC53847Butanoic acid, 3-oxo-,4-methylcyclohexyl esterDTXSID00288023NSC-53847DS-007342Butanoic acid, 3-oxo-, 4-methylcyclohexyl ester
Database identifiers
- CAS
6624-88-0- PubChem CID
- 243710
- DTXSID
DTXSID00288023
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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