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4-Phenyl-1-cyclohexene

CAT: 0572-TRC-P336603-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P336603-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4994-16-5
Hazard Statement
No Data Available
Smiles
C1CC(CC=C1)c2ccccc2
Molecular Formula
C12 H14
Molecular Weight
158.24
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
Additionnal Information
IUPAC name: cyclohex-3-en-1-ylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Phenylcyclohexene

RN in Chemline for cpd without designation of unsaturation: 31017-40-0

CAS Number4994-16-5
PubChem CID21096
IUPAC Namecyclohex-3-en-1-ylbenzene
Molecular FormulaC12H14
Molecular Weight158.24
XLogP3.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
C1CC(CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
InChIKey
XWCWNUSFQVJNDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenylcyclohexene
CAS: 4994-16-5
CID: 21096
Formula: C12H14
MW: 158.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass158.109550447
Monoisotopic Mass158.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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