Basic information
- CAS
1686-10-8- Standard SMILES
CCCCCCCCCCCC/C=C/CC(=O)O- InChIKey
PCBKWKNYISJGPJ-BUHFOSPRSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Overview
(3E)-3-hexadecenoic acid is a hexadecenoic acid having a trans-double bond at the 3-position. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- trans-3-Hexadecenoic acid
- IUPAC
- (E)-hexadec-3-enoic acid
- English name
- 3-Hexadecenoic acid, (3E)-
- Molecular formula
- C16H30O2
- Molecular weight
- 254.41
Names & synonyms
1686-10-8trans-3-Hexadecenoic acidDTXSID701312588RefChem:933266DTXCID501742379(E)-hexadec-3-enoic acid3-Hexadecenoic acid(3E)-HEXADEC-3-ENOIC ACIDhexadec-3-enoic acid3E-hexadecenoic acid2457-70-7(3E)-3-hexadecenoic acid
Show more names
SCHEMBL4079603-Hexadecenoic acid, (3E)-CHEBI:142241LMFA01030266NSC 33747EN300-22859351
Database identifiers
- CAS
1686-10-8、2457-70-7- PubChem CID
- 5312418
- DTXSID
DTXSID701312588- ChEBI
CHEBI:142241- Nikkaji
- J527.908I、J630.356K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Boiling point
- 373.6 · 373.6±11.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Additional notes
DefinitionChEBI: (3E)-3-hexadecenoic acid is a hexadecenoic acid having a trans-double bond at the 3-position. It has a role as a plant metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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