Basic information
- CAS
59558-21-3- Standard SMILES
CCCCCCCC(=O)Oc1cccc(C)c1- InChIKey
VPZWDKNEKVKFOJ-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Octanoic acid, 3-methylphenyl ester
- IUPAC
- (3-methylphenyl) octanoate
Names & synonyms
Octanoic acid, 3-methylphenyl ester59558-21-3DTXSID90282055RefChem:366872DTXCID90233209VPZWDKNEKVKFOJ-UHFFFAOYSA-NNSC239653-methylphenyl octanoateSCHEMBL28008648NSC-23965
Database identifiers
- CAS
59558-21-3- PubChem CID
- 229898
- DTXSID
DTXSID90282055
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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