3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol

C11H20O3S — CID 160885024

IUPAC3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol
SMILESCC(C)(C)C1(S(=O)(=O)C2CC(O)C2)CC1
InChIInChI=1S/C11H20O3S/c1-10(2,3)11(4-5-11)15(13,14)9-6-8(12)7-9/h8-9,12H,4-7H2,1-3H3
InChIKeyPHIZSYUJJOCCAS-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.50
Rot. Bonds2

About 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol

3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol (PubChem CID 160885024) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol
PubChem CID160885024
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol
SMILESCC(C)(C)C1(S(=O)(=O)C2CC(O)C2)CC1
InChIInChI=1S/C11H20O3S/c1-10(2,3)11(4-5-11)15(13,14)9-6-8(12)7-9/h8-9,12H,4-7H2,1-3H3
InChIKeyPHIZSYUJJOCCAS-UHFFFAOYSA-N
XLogP1.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol?
The IUPAC name of 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol (CID 160885024) is 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol.
What is the SMILES notation for 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol?
The canonical SMILES for 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol is CC(C)(C)C1(S(=O)(=O)C2CC(O)C2)CC1.
What is the InChIKey of 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol?
The InChIKey is PHIZSYUJJOCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-10(2,3)11(4-5-11)15(13,14)9-6-8(12)7-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol?
3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol has a molecular weight of 232.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylcyclopropyl)sulfonylcyclobutan-1-ol is sourced from PubChem (CID 160885024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).