Basic information
- CAS
6315-09-9- Standard SMILES
CCCCC(CC)OC(=O)c1cccc(C)c1- InChIKey
GMQQZPGPTGMTCR-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Heptan-3-yl 3-methylbenzoate
- IUPAC
- heptan-3-yl 3-methylbenzoate
Names & synonyms
6315-09-9heptan-3-yl 3-methylbenzoateNSC20066DTXSID40281093NSC-20066
Database identifiers
- CAS
6315-09-9- PubChem CID
- 227902
- DTXSID
DTXSID40281093
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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