Basic information
- CAS
94200-08-5- Standard SMILES
CCCCCC(CC)COC(=O)CC- InChIKey
WTLXVOXPXAHOIU-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2-Ethylheptyl propionate
- IUPAC
- 2-ethylheptyl propanoate
- English name
- 2-ethylheptyl propionate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.31776
Names & synonyms
2-Ethylheptyl propionate94200-08-5EINECS 303-484-42-ethylheptyl propanoateDTXSID50916187WTLXVOXPXAHOIU-UHFFFAOYSA-NNS00065251Propionic acid 2-ethylheptyl ester
Database identifiers
- CAS
94200-08-5- PubChem CID
- 3023948
- DTXSID
DTXSID50916187- EC Number
- 303-484-4
- Nikkaji
- J319.074I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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