1-methylidene-4-(2-methylsulfonylethyl)cyclohexane

C10H18O2S — CID 166571380

IUPAC1-methylidene-4-(2-methylsulfonylethyl)cyclohexane
SMILESC=C1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O2S/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h10H,1,3-8H2,2H3
InChIKeyMVZLLTKTGJHOCC-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.17
Rot. Bonds3

About 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane

1-methylidene-4-(2-methylsulfonylethyl)cyclohexane (PubChem CID 166571380) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(2-methylsulfonylethyl)cyclohexane
PubChem CID166571380
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name1-methylidene-4-(2-methylsulfonylethyl)cyclohexane
SMILESC=C1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O2S/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h10H,1,3-8H2,2H3
InChIKeyMVZLLTKTGJHOCC-UHFFFAOYSA-N
XLogP2.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylidene-4-(2-methylsulfonylethyl)cyclohexane?
The IUPAC name of 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane (CID 166571380) is 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane?
The canonical SMILES for 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane is C=C1CCC(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane?
The InChIKey is MVZLLTKTGJHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h10H,1,3-8H2,2H3.
What are the key properties of 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane?
1-methylidene-4-(2-methylsulfonylethyl)cyclohexane has a molecular weight of 202.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(2-methylsulfonylethyl)cyclohexane is sourced from PubChem (CID 166571380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).