Methyl 3-hydroxy-2-methyloctanoate
Basic information
- CAS
89157-41-5- Standard SMILES
CCCCCC(O)C(C)C(=O)OC- InChIKey
HZYIMDGYVOETSV-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2-methyloctanoate
- IUPAC
- methyl 3-hydroxy-2-methyloctanoate
Names & synonyms
methyl 3-hydroxy-2-methyloctanoate89157-41-5DTXSID00509023RefChem:355034DTXCID80459830SCHEMBL27518239AKOS011680681
Database identifiers
- CAS
89157-41-5- PubChem CID
- 12755437
- DTXSID
DTXSID00509023
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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