[(E)-2-cyclohexylethenyl]sulfinylbenzene

C14H18OS — CID 13355387

IUPAC[(E)-2-cyclohexylethenyl]sulfinylbenzene
SMILESO=S(/C=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H18OS/c15-16(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2/b12-11+
InChIKeyYVQRISOPAXMUFW-VAWYXSNFSA-N
MW234.36 g/mol
LogP3.89
Rot. Bonds3

About [(E)-2-cyclohexylethenyl]sulfinylbenzene

[(E)-2-cyclohexylethenyl]sulfinylbenzene (PubChem CID 13355387) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is [(E)-2-cyclohexylethenyl]sulfinylbenzene.

Molecular Properties

Compound Name[(E)-2-cyclohexylethenyl]sulfinylbenzene
PubChem CID13355387
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name[(E)-2-cyclohexylethenyl]sulfinylbenzene
SMILESO=S(/C=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H18OS/c15-16(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2/b12-11+
InChIKeyYVQRISOPAXMUFW-VAWYXSNFSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexylethenyl]sulfinylbenzene?
The IUPAC name of [(E)-2-cyclohexylethenyl]sulfinylbenzene (CID 13355387) is [(E)-2-cyclohexylethenyl]sulfinylbenzene.
What is the SMILES notation for [(E)-2-cyclohexylethenyl]sulfinylbenzene?
The canonical SMILES for [(E)-2-cyclohexylethenyl]sulfinylbenzene is O=S(/C=C/C1CCCCC1)c1ccccc1.
What is the InChIKey of [(E)-2-cyclohexylethenyl]sulfinylbenzene?
The InChIKey is YVQRISOPAXMUFW-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H18OS/c15-16(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2/b12-11+.
What are the key properties of [(E)-2-cyclohexylethenyl]sulfinylbenzene?
[(E)-2-cyclohexylethenyl]sulfinylbenzene has a molecular weight of 234.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexylethenyl]sulfinylbenzene is sourced from PubChem (CID 13355387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).