2,7-Dimethyloctanedioic acid
Basic information
- CAS
1188-08-5- Standard SMILES
CC(CCCCC(C)C(=O)O)C(=O)O- InChIKey
TYKNYXDGHLPJHT-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- 2,7-Dimethyloctanedioic acid
- IUPAC
- 2,7-dimethyloctanedioic acid
Names & synonyms
2,7-dimethyloctanedioic acid1188-08-5DTXSID70601588RefChem:248823DTXCID30552345Octanedioic acid, 2,7-dimethyl-SCHEMBL7179523
Database identifiers
- CAS
1188-08-5- PubChem CID
- 19973344
- DTXSID
DTXSID70601588- Nikkaji
- J127.679D
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 178
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Related reactions
1 records
Compound notes
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