5-(2-Hydroxyethyl)-6-methylhept-6-en-2-one
Basic information
- CAS
88682-28-4- Standard SMILES
C=C(C)C(CCO)CCC(C)=O- InChIKey
UWEUBVVTRZAVHO-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 5-(2-Hydroxyethyl)-6-methylhept-6-en-2-one
- IUPAC
- 5-(2-hydroxyethyl)-6-methylhept-6-en-2-one
Names & synonyms
88682-28-45-(2-Hydroxyethyl)-6-methylhept-6-en-2-oneSCHEMBL20699448DTXSID30522245
Database identifiers
- CAS
88682-28-4- PubChem CID
- 13149643
- DTXSID
DTXSID30522245
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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