3-Ethoxy-7-(prop-2-en-1-yl)cyclohept-2-en-1-one
Basic information
- CAS
86616-79-7- Standard SMILES
C=CCC1CCCC(OCC)=CC1=O- InChIKey
LWIHWKOERRWDFF-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 3-Ethoxy-7-(prop-2-en-1-yl)cyclohept-2-en-1-one
- IUPAC
- 3-ethoxy-7-prop-2-enylcyclohept-2-en-1-one
Names & synonyms
86616-79-7DTXSID505766493-Ethoxy-7-(prop-2-en-1-yl)cyclohept-2-en-1-oneRefChem:279036DTXCID60527420SCHEMBL10406386
Database identifiers
- CAS
86616-79-7- PubChem CID
- 15670652
- DTXSID
DTXSID50576649
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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