[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane

C13H24S — CID 134988985

IUPAC[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane
SMILESCCC/C=C(/CC1CCCCC1)SC
InChIInChI=1S/C13H24S/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12/h10,12H,3-9,11H2,1-2H3/b13-10-
InChIKeyZZZILHWUOVULGA-RAXLEYEMSA-N
MW212.40 g/mol
LogP5.00
Rot. Bonds5

About [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane

[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane (PubChem CID 134988985) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane
PubChem CID134988985
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane
SMILESCCC/C=C(/CC1CCCCC1)SC
InChIInChI=1S/C13H24S/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12/h10,12H,3-9,11H2,1-2H3/b13-10-
InChIKeyZZZILHWUOVULGA-RAXLEYEMSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane?
The IUPAC name of [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane (CID 134988985) is [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane?
The canonical SMILES for [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane is CCC/C=C(/CC1CCCCC1)SC.
What is the InChIKey of [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane?
The InChIKey is ZZZILHWUOVULGA-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H24S/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12/h10,12H,3-9,11H2,1-2H3/b13-10-.
What are the key properties of [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane?
[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane has a molecular weight of 212.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylsulfanylhex-2-enyl]cyclohexane is sourced from PubChem (CID 134988985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).