Basic information
- CAS
53585-95-8- Standard SMILES
COC(=O)CCC(C)=CCO- InChIKey
PQOBTUTWNHKPOV-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-
- IUPAC
- methyl 6-hydroxy-4-methylhex-4-enoate
Names & synonyms
DTXSID003365934-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-RefChem:293038DTXCID50287682METHYL (4E)-6-HYDROXY-4-METHYLHEX-4-ENOATEmethyl 6-hydroxy-4-methylhex-4-enoate
Database identifiers
- CAS
53585-95-8- PubChem CID
- 534845
- DTXSID
DTXSID00336593
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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