(1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane

C11H20S — CID 66806716

IUPAC(1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane
SMILESC=C[C@@]1(C)C(C)CCCC1SC
InChIInChI=1S/C11H20S/c1-5-11(3)9(2)7-6-8-10(11)12-4/h5,9-10H,1,6-8H2,2-4H3/t9?,10?,11-/m0/s1
InChIKeyMNTKCXZIZDCOCY-ILDUYXDCSA-N
MW184.35 g/mol
LogP3.73
Rot. Bonds2

About (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane

(1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane (PubChem CID 66806716) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane.

Molecular Properties

Compound Name(1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane
PubChem CID66806716
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane
SMILESC=C[C@@]1(C)C(C)CCCC1SC
InChIInChI=1S/C11H20S/c1-5-11(3)9(2)7-6-8-10(11)12-4/h5,9-10H,1,6-8H2,2-4H3/t9?,10?,11-/m0/s1
InChIKeyMNTKCXZIZDCOCY-ILDUYXDCSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane?
The IUPAC name of (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane (CID 66806716) is (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane.
What is the SMILES notation for (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane?
The canonical SMILES for (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane is C=C[C@@]1(C)C(C)CCCC1SC.
What is the InChIKey of (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane?
The InChIKey is MNTKCXZIZDCOCY-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H20S/c1-5-11(3)9(2)7-6-8-10(11)12-4/h5,9-10H,1,6-8H2,2-4H3/t9?,10?,11-/m0/s1.
What are the key properties of (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane?
(1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane has a molecular weight of 184.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-1,2-dimethyl-6-methylsulfanylcyclohexane is sourced from PubChem (CID 66806716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).