1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol

C11H20O3S — CID 65150116

IUPAC1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)C1CC=CCC1
InChIInChI=1S/C11H20O3S/c1-15(13,14)9-5-8-11(12)10-6-3-2-4-7-10/h2-3,10-12H,4-9H2,1H3
InChIKeyFYGDDGZYBVVZAG-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.53
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol

1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol (PubChem CID 65150116) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol
PubChem CID65150116
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)C1CC=CCC1
InChIInChI=1S/C11H20O3S/c1-15(13,14)9-5-8-11(12)10-6-3-2-4-7-10/h2-3,10-12H,4-9H2,1H3
InChIKeyFYGDDGZYBVVZAG-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol (CID 65150116) is 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol?
The InChIKey is FYGDDGZYBVVZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-15(13,14)9-5-8-11(12)10-6-3-2-4-7-10/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol?
1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol has a molecular weight of 232.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 65150116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).