3-(2-Propynyl)cyclohexene
Basic information
- CAS
55956-43-9- Standard SMILES
C#CCC1C=CCCC1- InChIKey
LEJMBUKQDRWAMR-UHFFFAOYSA-N- Molecular formula
- C9H12
- Average molar mass
- 120.19 g/mol
- Monoisotopic mass
- 120.09390038
Names & identifiers
- Preferred name
- 3-(2-Propynyl)cyclohexene
- IUPAC
- 3-prop-2-ynylcyclohexene
- English name
- 3-(2-Propynyl)-1-cyclohexene
- Molecular formula
- C9H12
- Molecular weight
- 120.19
Names & synonyms
55956-43-93-(2-PROPYNYL)CYCLOHEXENECyclohexene, 3-(2-propynyl)-3-(PROP-2-YN-1-YL)CYCLOHEX-1-ENE3-(2-propynyl)-cyclohexeneSCHEMBL401493SCHEMBL401494SCHEMBL3634791SCHEMBL3637412SCHEMBL5406504DTXSID20971364LEJMBUKQDRWAMR-UHFFFAOYSA-N
Show more names
3-(2-Propynyl)-1-cyclohexeneCyclohexene, 3-(2-propyn-1-yl)-
3-(2-Propynyl)-1-cyclohexene #
Database identifiers
- CAS
55956-43-9- PubChem CID
- 41677
- DTXSID
DTXSID20971364- Nikkaji
- J113.206G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 75 · 75-76 °C(Press: 14 Torr)
- Density
- 0.9332 g/cm3 · 0.9332 g/cm3
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Related reactions
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Compound notes
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