[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene

C15H20S — CID 71605318

IUPAC[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene
SMILESC(=C/c1ccccc1)\SCC1CCCCC1
InChIInChI=1S/C15H20S/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2/b12-11+
InChIKeyHGGPJBHVPVVCRC-VAWYXSNFSA-N
MW232.39 g/mol
LogP4.97
Rot. Bonds4

About [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene

[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene (PubChem CID 71605318) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene
PubChem CID71605318
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene
SMILESC(=C/c1ccccc1)\SCC1CCCCC1
InChIInChI=1S/C15H20S/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2/b12-11+
InChIKeyHGGPJBHVPVVCRC-VAWYXSNFSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene?
The IUPAC name of [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene (CID 71605318) is [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene.
What is the SMILES notation for [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene?
The canonical SMILES for [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene is C(=C/c1ccccc1)\SCC1CCCCC1.
What is the InChIKey of [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene?
The InChIKey is HGGPJBHVPVVCRC-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H20S/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2/b12-11+.
What are the key properties of [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene?
[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene has a molecular weight of 232.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene is sourced from PubChem (CID 71605318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).