Methyl 3-methyl-4-oxononanoate
Basic information
- CAS
89631-03-8- Standard SMILES
CCCCCC(=O)C(C)CC(=O)OC- InChIKey
XZNIWZPDMNWHLO-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Methyl 3-methyl-4-oxononanoate
- IUPAC
- methyl 3-methyl-4-oxononanoate
Names & synonyms
Methyl 3-methyl-4-oxononanoate89631-03-8DTXSID70734249AKOS010909983
Database identifiers
- CAS
89631-03-8- PubChem CID
- 61645239
- DTXSID
DTXSID70734249
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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