(4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane

C12H22S — CID 139467315

IUPAC(4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane
SMILESC=C1C[C@@H](C)CCC1C(C)(C)SC
InChIInChI=1S/C12H22S/c1-9-6-7-11(10(2)8-9)12(3,4)13-5/h9,11H,2,6-8H2,1,3-5H3/t9-,11?/m0/s1
InChIKeyRFUFKVMGROMYIE-FTNKSUMCSA-N
MW198.37 g/mol
LogP4.12
Rot. Bonds2

About (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane

(4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane (PubChem CID 139467315) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane
PubChem CID139467315
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name(4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane
SMILESC=C1C[C@@H](C)CCC1C(C)(C)SC
InChIInChI=1S/C12H22S/c1-9-6-7-11(10(2)8-9)12(3,4)13-5/h9,11H,2,6-8H2,1,3-5H3/t9-,11?/m0/s1
InChIKeyRFUFKVMGROMYIE-FTNKSUMCSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.12
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

2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol
CID 145283951
2-methyl-4-(2-methylsulfanylpropan-2-yl)cyclopentane-1,3-dione
CID 174287919
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
2-(2-chloropropan-2-yl)-5-methylcyclohexan-1-one
CID 15563355
2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
CID 64765340
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11572009
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
CID 10537454
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one
CID 64764789

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane?
The IUPAC name of (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane (CID 139467315) is (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane.
What is the SMILES notation for (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane?
The canonical SMILES for (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane is C=C1C[C@@H](C)CCC1C(C)(C)SC.
What is the InChIKey of (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane?
The InChIKey is RFUFKVMGROMYIE-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H22S/c1-9-6-7-11(10(2)8-9)12(3,4)13-5/h9,11H,2,6-8H2,1,3-5H3/t9-,11?/m0/s1.
What are the key properties of (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane?
(4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane has a molecular weight of 198.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-methylidene-1-(2-methylsulfanylpropan-2-yl)cyclohexane is sourced from PubChem (CID 139467315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).