2-(Phenylethynyl)-3-(prop-2-en-1-yl)bicyclo[2.2.1]heptane
Basic information
- CAS
94123-06-5- Standard SMILES
C=CCC1C2CCC(C2)C1C#Cc1ccccc1- InChIKey
XSCRAAUJAOXIJH-UHFFFAOYSA-N- Molecular formula
- C18H20
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.15650064
Names & identifiers
- Preferred name
- 2-(Phenylethynyl)-3-(prop-2-en-1-yl)bicyclo[2.2.1]heptane
- IUPAC
- 2-(2-phenylethynyl)-3-prop-2-enylbicyclo[2.2.1]heptane
Names & synonyms
94123-06-5DTXSID705365682-(Phenylethynyl)-3-(prop-2-en-1-yl)bicyclo[2.2.1]heptane
Database identifiers
- CAS
94123-06-5- PubChem CID
- 13315917
- DTXSID
DTXSID70536568
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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