1-methyl-4-methylidene-2-methylsulfanylcyclohexane

C9H16S — CID 90695468

IUPAC1-methyl-4-methylidene-2-methylsulfanylcyclohexane
SMILESC=C1CCC(C)C(SC)C1
InChIInChI=1S/C9H16S/c1-7-4-5-8(2)9(6-7)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyMDWMUQXUZXZEHY-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.09
Rot. Bonds1

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

1-methyl-4-methylidene-2-methylsulfanylcyclohexane (PubChem CID 90695468) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 1-methyl-4-methylidene-2-methylsulfanylcyclohexane.

Molecular Properties

Compound Name1-methyl-4-methylidene-2-methylsulfanylcyclohexane
PubChem CID90695468
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name1-methyl-4-methylidene-2-methylsulfanylcyclohexane
SMILESC=C1CCC(C)C(SC)C1
InChIInChI=1S/C9H16S/c1-7-4-5-8(2)9(6-7)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyMDWMUQXUZXZEHY-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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Related Compounds

1-Pentylsulfanylethenylcyclohexane
CID 58150596
1-Methylsulfanylethenylcyclohexane
CID 85970191
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
4-Methylidene-1-methylsulfanyl-2-(trifluoromethyl)cyclohexane
CID 90922567
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
1-Methylsulfinylmethyl-2-methylenecyclohexane
CID 15525559
2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
1-Methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
CID 134834912
[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane
CID 134923101
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
CID 134923117
[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
CID 134923314
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-2-methylsulfanylcyclohexane?
The IUPAC name of 1-methyl-4-methylidene-2-methylsulfanylcyclohexane (CID 90695468) is 1-methyl-4-methylidene-2-methylsulfanylcyclohexane.
What is the SMILES notation for 1-methyl-4-methylidene-2-methylsulfanylcyclohexane?
The canonical SMILES for 1-methyl-4-methylidene-2-methylsulfanylcyclohexane is C=C1CCC(C)C(SC)C1.
What is the InChIKey of 1-methyl-4-methylidene-2-methylsulfanylcyclohexane?
The InChIKey is MDWMUQXUZXZEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-4-5-8(2)9(6-7)10-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1-methyl-4-methylidene-2-methylsulfanylcyclohexane?
1-methyl-4-methylidene-2-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 1-methyl-4-methylidene-2-methylsulfanylcyclohexane is sourced from PubChem (CID 90695468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).