2,6-Dimethyloctane-1,8-dioic acid
Basic information
- CAS
3269-74-7- Standard SMILES
CC(CCCC(C)C(=O)O)CC(=O)O- InChIKey
YXTSFTNUPXGYDZ-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Overview
2,6-Dimethyl-1,8-octanedioic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 2,6-Dimethyloctane-1,8-dioic acid
- IUPAC
- 2,6-dimethyloctanedioic acid
Names & synonyms
2,6-Dimethyloctanedioic acid2,6-Dmoa3269-74-72,6-Dimethyloctane-1,8-dioic acidDTXSID00954377Octanedioic acid, 2,6-dimethyl-BMS-197564RefChem:908900DTXCID409313892,6-Dimethyl-1,8-octanedioic acidBMS 197564SCHEMBL14360231
Show more names
CHEBI:180323YXTSFTNUPXGYDZ-UHFFFAOYSA-NLMFA01170129
Database identifiers
- CAS
3269-74-7- PubChem CID
- 193373
- DTXSID
DTXSID00954377- ChEBI
CHEBI:180323- Nikkaji
- J830.297I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
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Related reactions
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Compound notes
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