[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane

C10H18S — CID 134218389

IUPAC[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane
SMILESCS/C=C(\C)C1CCCCC1
InChIInChI=1S/C10H18S/c1-9(8-11-2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyICPQBWUTNIITGR-CMDGGOBGSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds2

About [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane

[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane (PubChem CID 134218389) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane
PubChem CID134218389
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane
SMILESCS/C=C(\C)C1CCCCC1
InChIInChI=1S/C10H18S/c1-9(8-11-2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyICPQBWUTNIITGR-CMDGGOBGSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane?
The IUPAC name of [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane (CID 134218389) is [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane.
What is the SMILES notation for [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane?
The canonical SMILES for [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane is CS/C=C(\C)C1CCCCC1.
What is the InChIKey of [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane?
The InChIKey is ICPQBWUTNIITGR-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18S/c1-9(8-11-2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/b9-8+.
What are the key properties of [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane?
[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane has a molecular weight of 170.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane is sourced from PubChem (CID 134218389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).