1-cyclohex-3-en-1-ylethylselanylbenzene

C14H18Se — CID 12544075

IUPAC1-cyclohex-3-en-1-ylethylselanylbenzene
SMILESCC([Se]c1ccccc1)C1CC=CCC1
InChIInChI=1S/C14H18Se/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyFRLGJOHFZHCZLB-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.18
Rot. Bonds3

About 1-cyclohex-3-en-1-ylethylselanylbenzene

1-cyclohex-3-en-1-ylethylselanylbenzene (PubChem CID 12544075) has the molecular formula C14H18Se and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylethylselanylbenzene.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylethylselanylbenzene
PubChem CID12544075
Molecular FormulaC14H18Se
Molecular Weight265.26 g/mol
Exact Mass266.06
IUPAC Name1-cyclohex-3-en-1-ylethylselanylbenzene
SMILESCC([Se]c1ccccc1)C1CC=CCC1
InChIInChI=1S/C14H18Se/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyFRLGJOHFZHCZLB-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.18
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 1-cyclohex-3-en-1-ylethylselanylbenzene 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 1-cyclohex-3-en-1-ylethylselanylbenzene?
The IUPAC name of 1-cyclohex-3-en-1-ylethylselanylbenzene (CID 12544075) is 1-cyclohex-3-en-1-ylethylselanylbenzene.
What is the SMILES notation for 1-cyclohex-3-en-1-ylethylselanylbenzene?
The canonical SMILES for 1-cyclohex-3-en-1-ylethylselanylbenzene is CC([Se]c1ccccc1)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylethylselanylbenzene?
The InChIKey is FRLGJOHFZHCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Se/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-ylethylselanylbenzene?
1-cyclohex-3-en-1-ylethylselanylbenzene has a molecular weight of 265.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylethylselanylbenzene is sourced from PubChem (CID 12544075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).