Basic information
- CAS
107697-91-6- Standard SMILES
C=C[C@@H](CCCCC)OC(=O)CC- InChIKey
JXIWFCAUMLSOOO-JTQLQIEISA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- (R)-Oct-1-en-3-yl propionate
- IUPAC
- [(3R)-oct-1-en-3-yl] propanoate
- English name
- 1-Octen-3-yl propionate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
(R)-Oct-1-en-3-yl propionate(3R)-1-Octen-3-yl propionateDTXSID90337973(3R)-Oct-1-en-3-yl propanoate1-Octen-3-yl propionate1-Octen-3-ol, propanoate, (R)- (9CI)
Database identifiers
- CAS
107697-91-6- PubChem CID
- 29933367
- DTXSID
DTXSID90337973
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 228.837 · 228.837±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.881 · 0.881±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. mushroom
- Odor Type
- mushroom
- LogP
- 3.998 · 3.998 (est)
Chemistry & industry
Suppliers1 total
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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