2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol

C8H16O3S — CID 79333493

IUPAC2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol
SMILESCC1CC1(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-6-5-8(6,9)7(2,3)12(4,10)11/h6,9H,5H2,1-4H3
InChIKeyLACQGMJMESDRHT-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.58
Rot. Bonds2

About 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol

2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol (PubChem CID 79333493) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol
PubChem CID79333493
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol
SMILESCC1CC1(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-6-5-8(6,9)7(2,3)12(4,10)11/h6,9H,5H2,1-4H3
InChIKeyLACQGMJMESDRHT-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol?
The IUPAC name of 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol (CID 79333493) is 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol is CC1CC1(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol?
The InChIKey is LACQGMJMESDRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-6-5-8(6,9)7(2,3)12(4,10)11/h6,9H,5H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol?
2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol has a molecular weight of 192.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 79333493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).