(E)-3-Dodecenyl acetate
Basic information
- CAS
56218-63-4- Standard SMILES
CCCCCCCC/C=C/CCOC(C)=O- InChIKey
NLVAHXQJCLXFGL-ZHACJKMWSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
Overview
3E-Dodecenyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- (E)-3-Dodecenyl acetate
- IUPAC
- [(E)-dodec-3-enyl] acetate
- English name
- Acetic acid (E)-3-dodecenyl ester
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35
Names & synonyms
(E)-3-Dodecenyl acetate3E-Dodecenyl acetate[(E)-dodec-3-enyl] acetate56218-63-4SCHEMBL1301895(3E)-3-dodecen-1-yl acetateCHEBI:179345NLVAHXQJCLXFGL-ZHACJKMWSA-NLMFA07010223SFE 12:1(3E)/2:0DB-247009SFE(12:1(3E)/2:0)
Show more names
(E)-3-Dodecen-1-ol acetate3-Dodecen-1-ol, 1-acetate, (3E)-Acetic acid (E)-3-dodecenyl ester
Database identifiers
- CAS
56218-63-4- ChEBI
CHEBI:179345- Nikkaji
- J1.015.679C、J717J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 1 Torr)
- Density
- 0.881 · 0.881±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 3E-Dodecenyl acetate is a carboxylic ester.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…