4-methyl-3-methylsulfinylcyclohexene

C8H14OS — CID 118892382

IUPAC4-methyl-3-methylsulfinylcyclohexene
SMILESCC1CCC=CC1S(C)=O
InChIInChI=1S/C8H14OS/c1-7-5-3-4-6-8(7)10(2)9/h4,6-8H,3,5H2,1-2H3
InChIKeySNRORJUYSBOWTQ-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.72
Rot. Bonds1

About 4-methyl-3-methylsulfinylcyclohexene

4-methyl-3-methylsulfinylcyclohexene (PubChem CID 118892382) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-methyl-3-methylsulfinylcyclohexene.

Molecular Properties

Compound Name4-methyl-3-methylsulfinylcyclohexene
PubChem CID118892382
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-methyl-3-methylsulfinylcyclohexene
SMILESCC1CCC=CC1S(C)=O
InChIInChI=1S/C8H14OS/c1-7-5-3-4-6-8(7)10(2)9/h4,6-8H,3,5H2,1-2H3
InChIKeySNRORJUYSBOWTQ-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-3-methylsulfinylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfinylcyclohexene?
The IUPAC name of 4-methyl-3-methylsulfinylcyclohexene (CID 118892382) is 4-methyl-3-methylsulfinylcyclohexene.
What is the SMILES notation for 4-methyl-3-methylsulfinylcyclohexene?
The canonical SMILES for 4-methyl-3-methylsulfinylcyclohexene is CC1CCC=CC1S(C)=O.
What is the InChIKey of 4-methyl-3-methylsulfinylcyclohexene?
The InChIKey is SNRORJUYSBOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-7-5-3-4-6-8(7)10(2)9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-methyl-3-methylsulfinylcyclohexene?
4-methyl-3-methylsulfinylcyclohexene has a molecular weight of 158.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfinylcyclohexene is sourced from PubChem (CID 118892382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).