5-Tetradecanone
Basic information
- CAS
31857-89-3- Standard SMILES
CCCCCCCCCC(=O)CCCC- InChIKey
HLZRTHFXZSWIBW-UHFFFAOYSA-N- Molecular formula
- C14H28O
- Average molar mass
- 212.37 g/mol
- Monoisotopic mass
- 212.21401551
Overview
Tetradecan-5-one has been reported in Syzygium cumini with data available.
Names & identifiers
- Preferred name
- 5-Tetradecanone
- IUPAC
- tetradecan-5-one
- English name
- 5-Tetradecanone
- Molecular formula
- C14H28O
- Molecular weight
- 212.37
Names & synonyms
5-TetradecanoneTetradecan-5-one31857-89-3NSC-158515EINECS 250-847-7NSC158515E9RGX49ABPSCHEMBL5708548SCHEMBL7836307DTXSID20185722HLZRTHFXZSWIBW-UHFFFAOYSA-NAKOS017341565
Show more names
Tetradecane-5-one
NSC 158515NS00029184
Database identifiers
- CAS
31857-89-3- PubChem CID
- 98678
- DTXSID
DTXSID20185722- UNII
- E9RGX49ABP
- EC Number
- 250-847-7
- Nikkaji
- J278.201D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 38.18 °C · 38.18°C (estimate)
- Boiling point
- 277.23 °C · 277.23°C (estimate)
- Density
- 0.8256 · 0.8256 (estimate)
- refractive index
- 1.4388 · 1.4388 (estimate)
- FDA UNII
- 9 RGX49ABP · E9RGX49ABP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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