2-cyclopropyl-4-methylsulfonylbutan-2-ol

C8H16O3S — CID 65146998

IUPAC2-cyclopropyl-4-methylsulfonylbutan-2-ol
SMILESCC(O)(CCS(C)(=O)=O)C1CC1
InChIInChI=1S/C8H16O3S/c1-8(9,7-3-4-7)5-6-12(2,10)11/h7,9H,3-6H2,1-2H3
InChIKeyCUABAYVOTIKHNU-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.58
Rot. Bonds4

About 2-cyclopropyl-4-methylsulfonylbutan-2-ol

2-cyclopropyl-4-methylsulfonylbutan-2-ol (PubChem CID 65146998) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-methylsulfonylbutan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-methylsulfonylbutan-2-ol
PubChem CID65146998
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-cyclopropyl-4-methylsulfonylbutan-2-ol
SMILESCC(O)(CCS(C)(=O)=O)C1CC1
InChIInChI=1S/C8H16O3S/c1-8(9,7-3-4-7)5-6-12(2,10)11/h7,9H,3-6H2,1-2H3
InChIKeyCUABAYVOTIKHNU-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methylsulfonylbutan-2-ol?
The IUPAC name of 2-cyclopropyl-4-methylsulfonylbutan-2-ol (CID 65146998) is 2-cyclopropyl-4-methylsulfonylbutan-2-ol.
What is the SMILES notation for 2-cyclopropyl-4-methylsulfonylbutan-2-ol?
The canonical SMILES for 2-cyclopropyl-4-methylsulfonylbutan-2-ol is CC(O)(CCS(C)(=O)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-methylsulfonylbutan-2-ol?
The InChIKey is CUABAYVOTIKHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-8(9,7-3-4-7)5-6-12(2,10)11/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-methylsulfonylbutan-2-ol?
2-cyclopropyl-4-methylsulfonylbutan-2-ol has a molecular weight of 192.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methylsulfonylbutan-2-ol is sourced from PubChem (CID 65146998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).