2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane

C11H20O3S — CID 123432423

IUPAC2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane
SMILESC=C1CCC(S(=O)(=O)C(C)C)CC1OC
InChIInChI=1S/C11H20O3S/c1-8(2)15(12,13)10-6-5-9(3)11(7-10)14-4/h8,10-11H,3,5-7H2,1-2,4H3
InChIKeyXNYJVKUMOXKUDS-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.93
Rot. Bonds3

About 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane

2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane (PubChem CID 123432423) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane.

Molecular Properties

Compound Name2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane
PubChem CID123432423
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane
SMILESC=C1CCC(S(=O)(=O)C(C)C)CC1OC
InChIInChI=1S/C11H20O3S/c1-8(2)15(12,13)10-6-5-9(3)11(7-10)14-4/h8,10-11H,3,5-7H2,1-2,4H3
InChIKeyXNYJVKUMOXKUDS-UHFFFAOYSA-N
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-1-methylidene-4-methylsulfanylcyclohexane
CID 90733120
1-Methylidene-4-(2-methylsulfonylethoxy)cyclohexane
CID 91288542
1-Butoxy-4-methylidene-2-methylsulfonylcyclohexane
CID 91313885
4-Ethylsulfonyl-2-methoxy-1-methylidenecyclohexane
CID 123142351
2-Methoxy-1-methylidene-4-methylsulfonylcyclohexane
CID 123382169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
The IUPAC name of 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane (CID 123432423) is 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane.
What is the SMILES notation for 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
The canonical SMILES for 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane is C=C1CCC(S(=O)(=O)C(C)C)CC1OC.
What is the InChIKey of 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
The InChIKey is XNYJVKUMOXKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-8(2)15(12,13)10-6-5-9(3)11(7-10)14-4/h8,10-11H,3,5-7H2,1-2,4H3.
What are the key properties of 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane has a molecular weight of 232.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane is sourced from PubChem (CID 123432423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).