cyclohex-3-en-1-ylbenzene

C12H14 — CID 21096

IUPACcyclohex-3-en-1-ylbenzene
SMILESC1=CCC(c2ccccc2)CC1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
InChIKeyXWCWNUSFQVJNDI-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.51
Rot. Bonds1

About cyclohex-3-en-1-ylbenzene

cyclohex-3-en-1-ylbenzene (PubChem CID 21096) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is cyclohex-3-en-1-ylbenzene.

Molecular Properties

Compound Namecyclohex-3-en-1-ylbenzene
PubChem CID21096
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Namecyclohex-3-en-1-ylbenzene
SMILESC1=CCC(c2ccccc2)CC1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
InChIKeyXWCWNUSFQVJNDI-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylbenzene?
The IUPAC name of cyclohex-3-en-1-ylbenzene (CID 21096) is cyclohex-3-en-1-ylbenzene.
What is the SMILES notation for cyclohex-3-en-1-ylbenzene?
The canonical SMILES for cyclohex-3-en-1-ylbenzene is C1=CCC(c2ccccc2)CC1.
What is the InChIKey of cyclohex-3-en-1-ylbenzene?
The InChIKey is XWCWNUSFQVJNDI-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of cyclohex-3-en-1-ylbenzene?
cyclohex-3-en-1-ylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylbenzene is sourced from PubChem (CID 21096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).