2-methyl-4-methylidene-1-methylsulfanylcyclohexane

C9H16S — CID 91148146

IUPAC2-methyl-4-methylidene-1-methylsulfanylcyclohexane
SMILESC=C1CCC(SC)C(C)C1
InChIInChI=1S/C9H16S/c1-7-4-5-9(10-3)8(2)6-7/h8-9H,1,4-6H2,2-3H3
InChIKeyBHKOSXDHSBSKBJ-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.09
Rot. Bonds1

About 2-methyl-4-methylidene-1-methylsulfanylcyclohexane

2-methyl-4-methylidene-1-methylsulfanylcyclohexane (PubChem CID 91148146) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-methyl-4-methylidene-1-methylsulfanylcyclohexane.

Molecular Properties

Compound Name2-methyl-4-methylidene-1-methylsulfanylcyclohexane
PubChem CID91148146
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-methyl-4-methylidene-1-methylsulfanylcyclohexane
SMILESC=C1CCC(SC)C(C)C1
InChIInChI=1S/C9H16S/c1-7-4-5-9(10-3)8(2)6-7/h8-9H,1,4-6H2,2-3H3
InChIKeyBHKOSXDHSBSKBJ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.09
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 2-methyl-4-methylidene-1-methylsulfanylcyclohexane?
The IUPAC name of 2-methyl-4-methylidene-1-methylsulfanylcyclohexane (CID 91148146) is 2-methyl-4-methylidene-1-methylsulfanylcyclohexane.
What is the SMILES notation for 2-methyl-4-methylidene-1-methylsulfanylcyclohexane?
The canonical SMILES for 2-methyl-4-methylidene-1-methylsulfanylcyclohexane is C=C1CCC(SC)C(C)C1.
What is the InChIKey of 2-methyl-4-methylidene-1-methylsulfanylcyclohexane?
The InChIKey is BHKOSXDHSBSKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-4-5-9(10-3)8(2)6-7/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-4-methylidene-1-methylsulfanylcyclohexane?
2-methyl-4-methylidene-1-methylsulfanylcyclohexane has a molecular weight of 156.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-1-methylsulfanylcyclohexane is sourced from PubChem (CID 91148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).