[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene

C14H18S — CID 162417225

IUPAC[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
SMILESCSCC1CCCC=C1c1ccccc1
InChIInChI=1S/C14H18S/c1-15-11-13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3
InChIKeyQQPHQSMGQOIBRL-UHFFFAOYSA-N
MW218.37 g/mol
LogP4.23
Rot. Bonds3

About [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene

[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene (PubChem CID 162417225) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
PubChem CID162417225
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
SMILESCSCC1CCCC=C1c1ccccc1
InChIInChI=1S/C14H18S/c1-15-11-13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3
InChIKeyQQPHQSMGQOIBRL-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene?
The IUPAC name of [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene (CID 162417225) is [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene?
The canonical SMILES for [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene is CSCC1CCCC=C1c1ccccc1.
What is the InChIKey of [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene?
The InChIKey is QQPHQSMGQOIBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-15-11-13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3.
What are the key properties of [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene?
[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene has a molecular weight of 218.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 162417225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).