Basic information
- CAS
1787-09-3- Standard SMILES
CCCCCCCCCCCCCCC=COC(C)=O- InChIKey
CEMVQLPAAAYDAK-UHFFFAOYSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Names & identifiers
- Preferred name
- Hexadec-1-en-1-yl acetate
- IUPAC
- hexadec-1-enyl acetate
- English name
- (1E)-1-Hexadecenyl acetate
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
Hexadec-1-en-1-yl acetate1787-09-3DTXSID50346627RefChem:347398DTXCID40297699hexadec-1-enyl acetate(1E)-1-Hexadecenyl acetatehexadecen-1-yl acetateSCHEMBL5922681-Hexadecen-1-ol acetate
Database identifiers
- CAS
1787-09-3- PubChem CID
- 613642
- DTXSID
DTXSID50346627
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 356.689 · 356.689±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.875 · 0.875±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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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