4,7,10-Hexadecatrienoic acid
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Basic information
- CAS
10404-91-8- Standard SMILES
CCCCC/C=C/C/C=C/C/C=C/CCC(=O)O- InChIKey
SBIXFICRPNNLIR-UHFFFAOYSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Overview
4,7,10-hexadecatrienoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 4,7,10-Hexadecatrienoic acid
- IUPAC
- (4E,7E,10E)-hexadeca-4,7,10-trienoic acid
- English name
- 4,7,10-hexadecatrienoic acid
- Molecular formula
- C16H26O2
- Molecular weight
- 250.38
Names & synonyms
4,7,10-Hexadecatrienoic acid10404-91-8RefChem:96706(4E,7E,10E)-hexadeca-4,7,10-trienoic acidC16:3n-6,9,12LMFA01030134SCHEMBL17540728CHEBI:180363HEXADECATRIENOICACID
Database identifiers
- CAS
10404-91-8- PubChem CID
- 5282809
- ChEBI
CHEBI:180363- Nikkaji
- J3.614.477G
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Boiling point
- 351.7 · 351.7±21.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- pka
- 4.65 · 4.65±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 4,7,10-hexadecatrienoic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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