4,8-Dimethylnonanoic acid
Basic information
- CAS
7540-70-7- Standard SMILES
CC(C)CCCC(C)CCC(=O)O- InChIKey
VZPIUNDOWLDCTC-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
4,8-dimethylnonanoic acid is a medium-chain fatty acid, nonanoic acid with methyl branches at C-4 and C-8. It is a branched-chain fatty acid and a medium-chain fatty acid. It is a conjugate acid of a 4,8-dimethylnonanoate.
Names & identifiers
- Preferred name
- 4,8-Dimethylnonanoic acid
- IUPAC
- 4,8-dimethylnonanoic acid
- English name
- 4,6-Dimethylnonanoic acid
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
4,8-Dimethylnonanoic acid4,8-dimethyl-nonanoic acid7540-70-7CHEBI:63864DTXSID00941848RefChem:96805DTXCID50857248SCHEMBL277518SCHEMBL8813670VZPIUNDOWLDCTC-UHFFFAOYSA-NLMFA01020288AKOS000277790
Show more names
4,8-Dimethyl-nonansaeure4,6-Dimethylnonanoic acid
AKOS040764363Q27132871
Database identifiers
- CAS
7540-70-7- PubChem CID
- 13628864
- DTXSID
DTXSID00941848- ChEBI
CHEBI:63864- Nikkaji
- J1.243.502I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 7 Torr)
- Density
- 0.879 g/cm³ · 0.879 g/cm³(Temp: 24 °C)
- pka
- 4.781 · 4.781±0.10(predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: A medium-chain fatty acid, nonanoic acid with methyl branches at C-4 and C-8.
Related reactions
1 records
Compound notes
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