3-(1-Methoxyethenyl)hept-5-en-2-one
Basic information
- CAS
56563-39-4- Standard SMILES
C=C(OC)C(CC=CC)C(C)=O- InChIKey
TZUQJIDGFWHKQS-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 3-(1-Methoxyethenyl)hept-5-en-2-one
- IUPAC
- 3-(1-methoxyethenyl)hept-5-en-2-one
Names & synonyms
56563-39-43-(1-Methoxyethenyl)hept-5-en-2-oneSCHEMBL11583967DTXSID108534033-(1-Methoxyethen-1-yl)hept-5-en-2-one
Database identifiers
- CAS
56563-39-4- PubChem CID
- 71444641
- DTXSID
DTXSID10853403
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Related reactions
2 records
Compound notes
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