5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol

C11H20O3S — CID 65174721

IUPAC5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol
SMILESCC1(C)CC(CCS(C)(=O)=O)=CC(O)C1
InChIInChI=1S/C11H20O3S/c1-11(2)7-9(6-10(12)8-11)4-5-15(3,13)14/h6,10,12H,4-5,7-8H2,1-3H3
InChIKeyHJUWYJRGTIAGKC-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.53
Rot. Bonds3

About 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol

5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol (PubChem CID 65174721) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol
PubChem CID65174721
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol
SMILESCC1(C)CC(CCS(C)(=O)=O)=CC(O)C1
InChIInChI=1S/C11H20O3S/c1-11(2)7-9(6-10(12)8-11)4-5-15(3,13)14/h6,10,12H,4-5,7-8H2,1-3H3
InChIKeyHJUWYJRGTIAGKC-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol (CID 65174721) is 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol is CC1(C)CC(CCS(C)(=O)=O)=CC(O)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol?
The InChIKey is HJUWYJRGTIAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-11(2)7-9(6-10(12)8-11)4-5-15(3,13)14/h6,10,12H,4-5,7-8H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol?
5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol has a molecular weight of 232.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylsulfonylethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65174721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).