Basic information
- CAS
5458-33-3- Standard SMILES
CCCCCCCCCCCOC(=O)CC- InChIKey
YYOMLCJPYHLLRY-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- 1-Undecanol, propionate
- IUPAC
- undecyl propanoate
- English name
- 1-Undecanol, propionate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
undecyl propanoate1-Undecanol, propionatePropanoic acid, undecyl esterUndecyl propionateSCHEMBL8376821SCHEMBL8376825SCHEMBL8961900DTXSID60969826YYOMLCJPYHLLRY-UHFFFAOYSA-NNSC23548NSC-235481-Undecanol, 1-propanoate
Database identifiers
- CAS
5458-33-3- PubChem CID
- 229709
- DTXSID
DTXSID60969826- Nikkaji
- J115.072C
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- -26.6 °C · -26.6°C (estimate)
- Boiling point
- 270.19 °C · 270.19°C (estimate)
- Density
- 0.858 · 0.8580 (estimate)
- refractive index
- 1.4248 · 1.4248 (estimate)
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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