Basic information
- CAS
142449-96-5- Standard SMILES
C/C=C/C(=O)CCCCCCCCC- InChIKey
JUQCMHBQRHFGNC-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- 2-Tridecen-4-one
- IUPAC
- (E)-tridec-2-en-4-one
- English name
- (E)-tridec-2-en-4-one
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
2-Tridecen-4-one142449-96-5(E)-tridec-2-en-4-one(e)-2-tridecen-4-one
Database identifiers
- CAS
142449-96-5- PubChem CID
- 6366702
- Nikkaji
- J468.030H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 279.174 · 279.174±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.84 · 0.840±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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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