[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene

C18H18Se — CID 177428467

IUPAC[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene
SMILESC(=C(/[Se]c1ccccc1)C1CCC1)\c1ccccc1
InChIInChI=1S/C18H18Se/c1-3-8-15(9-4-1)14-18(16-10-7-11-16)19-17-12-5-2-6-13-17/h1-6,8-9,12-14,16H,7,10-11H2/b18-14+
InChIKeyXDCRZNZHJKXNRU-NBVRZTHBSA-N
MW313.30 g/mol
LogP3.86
Rot. Bonds4

About [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene

[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene (PubChem CID 177428467) has the molecular formula C18H18Se and a molecular weight of 313.30 g/mol. Its IUPAC name is [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene.

Molecular Properties

Compound Name[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene
PubChem CID177428467
Molecular FormulaC18H18Se
Molecular Weight313.30 g/mol
Exact Mass314.06
IUPAC Name[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene
SMILESC(=C(/[Se]c1ccccc1)C1CCC1)\c1ccccc1
InChIInChI=1S/C18H18Se/c1-3-8-15(9-4-1)14-18(16-10-7-11-16)19-17-12-5-2-6-13-17/h1-6,8-9,12-14,16H,7,10-11H2/b18-14+
InChIKeyXDCRZNZHJKXNRU-NBVRZTHBSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene?
The IUPAC name of [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene (CID 177428467) is [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene.
What is the SMILES notation for [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene?
The canonical SMILES for [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene is C(=C(/[Se]c1ccccc1)C1CCC1)\c1ccccc1.
What is the InChIKey of [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene?
The InChIKey is XDCRZNZHJKXNRU-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H18Se/c1-3-8-15(9-4-1)14-18(16-10-7-11-16)19-17-12-5-2-6-13-17/h1-6,8-9,12-14,16H,7,10-11H2/b18-14+.
What are the key properties of [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene?
[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene has a molecular weight of 313.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene is sourced from PubChem (CID 177428467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).