Basic information
- Standard SMILES
COC(=O)C(C)CC(C)C(=O)O- InChIKey
TXVYGBGEKZBRST-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Pentanedioic acid, 2,4-dimethyl-, monomethyl ester
- IUPAC
- 5-methoxy-2,4-dimethyl-5-oxopentanoic acid
Names & synonyms
SCHEMBL7316251AKOS0226388434-carbomethoxy-2,4-dimethylbutanoic acid5-Methoxy-2,4-dimethyl-5-oxopentanoic acid #Pentanedioic acid, 2,4-dimethyl-, monomethyl ester
Database identifiers
- PubChem CID
- 549975
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Related reactions
1 records
Compound notes
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