Basic information
- Standard SMILES
COC(=O)C(CC(=O)O)CC(C)C- InChIKey
AJNNFMRCMKGYHA-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
Names & identifiers
- Preferred name
- 2-Isobutylsuccinic acid 1-methyl ester
- IUPAC
- 3-methoxycarbonyl-5-methylhexanoic acid
Names & synonyms
(3R)-3-(METHOXYCARBONYL)-5-METHYLHEXANOIC ACID(3S)-3-methoxycarbonyl-5-methyl-hexanoic acidSCHEMBL1177032AJNNFMRCMKGYHA-UHFFFAOYSA-N2-isobutylsuccinic acid 1-methyl esterSB47695
Database identifiers
- PubChem CID
- 10130288
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
3 records
Compound notes
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