1-cyclopentyl-4-ethylsulfonylbutan-1-ol

C11H22O3S — CID 65097658

IUPAC1-cyclopentyl-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCCC1
InChIInChI=1S/C11H22O3S/c1-2-15(13,14)9-5-8-11(12)10-6-3-4-7-10/h10-12H,2-9H2,1H3
InChIKeyUZNCJWXHMGVQIW-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.75
Rot. Bonds6

About 1-cyclopentyl-4-ethylsulfonylbutan-1-ol

1-cyclopentyl-4-ethylsulfonylbutan-1-ol (PubChem CID 65097658) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-ethylsulfonylbutan-1-ol
PubChem CID65097658
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-cyclopentyl-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCCC1
InChIInChI=1S/C11H22O3S/c1-2-15(13,14)9-5-8-11(12)10-6-3-4-7-10/h10-12H,2-9H2,1H3
InChIKeyUZNCJWXHMGVQIW-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-cyclopentyl-4-ethylsulfonylbutan-1-ol (CID 65097658) is 1-cyclopentyl-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-cyclopentyl-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-cyclopentyl-4-ethylsulfonylbutan-1-ol is CCS(=O)(=O)CCCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-ethylsulfonylbutan-1-ol?
The InChIKey is UZNCJWXHMGVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-2-15(13,14)9-5-8-11(12)10-6-3-4-7-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-ethylsulfonylbutan-1-ol?
1-cyclopentyl-4-ethylsulfonylbutan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 65097658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).