1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene

C11H20S — CID 134128395

IUPAC1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene
SMILESCSCC(C)C1CC=C(C)CC1
InChIInChI=1S/C11H20S/c1-9-4-6-11(7-5-9)10(2)8-12-3/h4,10-11H,5-8H2,1-3H3
InChIKeyACEAWZKCPGHZIG-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.73
Rot. Bonds3

About 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene

1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene (PubChem CID 134128395) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene
PubChem CID134128395
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene
SMILESCSCC(C)C1CC=C(C)CC1
InChIInChI=1S/C11H20S/c1-9-4-6-11(7-5-9)10(2)8-12-3/h4,10-11H,5-8H2,1-3H3
InChIKeyACEAWZKCPGHZIG-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene?
The IUPAC name of 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene (CID 134128395) is 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene.
What is the SMILES notation for 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene?
The canonical SMILES for 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene is CSCC(C)C1CC=C(C)CC1.
What is the InChIKey of 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene?
The InChIKey is ACEAWZKCPGHZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-9-4-6-11(7-5-9)10(2)8-12-3/h4,10-11H,5-8H2,1-3H3.
What are the key properties of 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene?
1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene has a molecular weight of 184.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfanylpropan-2-yl)cyclohexene is sourced from PubChem (CID 134128395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).