Basic information
- CAS
5457-74-9- Standard SMILES
CCCCCCCC(=O)OC(CC)CCCC- InChIKey
XIWKFLBGDLYRDD-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Heptan-3-yl octanoate
- IUPAC
- heptan-3-yl octanoate
- English name
- heptan-3-yl octanoate
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
5457-74-9heptan-3-yl octanoateNSC23956DTXSID90282050NSC-23956Octanoic acid, 1-ethylpentyl ester
Database identifiers
- CAS
5457-74-9- PubChem CID
- 229893
- DTXSID
DTXSID90282050
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
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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