Basic information
- CAS
27007-78-9- Standard SMILES
CCCCCCC#CCC(=O)O- InChIKey
KIZIQHLTPZNNRL-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
3-decynoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 3-Decynoic acid
- IUPAC
- dec-3-ynoic acid
- English name
- 3-Decynoic acid
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
3-Decynoic aciddec-3-ynoic acid27007-78-93-Decanynoic acid3-Decynoic acid #SCHEMBL7698472DTXSID20338493CHEBI:195805LMFA01030457
Database identifiers
- CAS
27007-78-9- PubChem CID
- 549372
- DTXSID
DTXSID20338493- ChEBI
CHEBI:195805- Nikkaji
- J88.468E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Melting point
- 28.5 °C · 28.5°C (estimate)
- Boiling point
- 325.33 °C · 325.33°C (rough estimate)
- Density
- 1.0066 · 1.0066 (rough estimate)
- refractive index
- 1.4036 · 1.4036 (estimate)
Related reactions
13 records
Compound notes
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