3-Tetradecynoic acid
Basic information
- CAS
55182-76-8- Standard SMILES
CCCCCCCCCCC#CCC(=O)O- InChIKey
NXRVELJJJOMFAM-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Overview
3-tetradecynoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 3-Tetradecynoic acid
- IUPAC
- tetradec-3-ynoic acid
Names & synonyms
3-Tetradecynoic acidtetradec-3-ynoic acid3-Tetradecanynoic acid55182-76-83-Tetradecynoic acid #SCHEMBL28742889DTXSID30336541CHEBI:196051NXRVELJJJOMFAM-UHFFFAOYSA-NLMFA01030584
Database identifiers
- CAS
55182-76-8- PubChem CID
- 534441
- DTXSID
DTXSID30336541- ChEBI
CHEBI:196051
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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