cyclohex-2-en-1-ylselanylbenzene

C12H14Se — CID 11746649

IUPACcyclohex-2-en-1-ylselanylbenzene
SMILESC1=CC([Se]c2ccccc2)CCC1
InChIInChI=1S/C12H14Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKeyJMNKHESHNGJAFE-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.54
Rot. Bonds2

About cyclohex-2-en-1-ylselanylbenzene

cyclohex-2-en-1-ylselanylbenzene (PubChem CID 11746649) has the molecular formula C12H14Se and a molecular weight of 237.20 g/mol. Its IUPAC name is cyclohex-2-en-1-ylselanylbenzene.

Molecular Properties

Compound Namecyclohex-2-en-1-ylselanylbenzene
PubChem CID11746649
Molecular FormulaC12H14Se
Molecular Weight237.20 g/mol
Exact Mass238.03
IUPAC Namecyclohex-2-en-1-ylselanylbenzene
SMILESC1=CC([Se]c2ccccc2)CCC1
InChIInChI=1S/C12H14Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKeyJMNKHESHNGJAFE-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohex-2-en-1-ylselanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylselanylbenzene?
The IUPAC name of cyclohex-2-en-1-ylselanylbenzene (CID 11746649) is cyclohex-2-en-1-ylselanylbenzene.
What is the SMILES notation for cyclohex-2-en-1-ylselanylbenzene?
The canonical SMILES for cyclohex-2-en-1-ylselanylbenzene is C1=CC([Se]c2ccccc2)CCC1.
What is the InChIKey of cyclohex-2-en-1-ylselanylbenzene?
The InChIKey is JMNKHESHNGJAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2.
What are the key properties of cyclohex-2-en-1-ylselanylbenzene?
cyclohex-2-en-1-ylselanylbenzene has a molecular weight of 237.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylselanylbenzene is sourced from PubChem (CID 11746649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).