1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol

C9H18O3S — CID 115837892

IUPAC1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCC(C)(C(O)C1CCC1)S(C)(=O)=O
InChIInChI=1S/C9H18O3S/c1-9(2,13(3,11)12)8(10)7-5-4-6-7/h7-8,10H,4-6H2,1-3H3
InChIKeyQUGNSHHZZIVOSU-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.97
Rot. Bonds3

About 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol

1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol (PubChem CID 115837892) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol
PubChem CID115837892
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCC(C)(C(O)C1CCC1)S(C)(=O)=O
InChIInChI=1S/C9H18O3S/c1-9(2,13(3,11)12)8(10)7-5-4-6-7/h7-8,10H,4-6H2,1-3H3
InChIKeyQUGNSHHZZIVOSU-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol
CID 115808259
N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
CID 107138962
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine
CID 115856549
1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 115863401
2-methyl-N-[4-(2,2,2-trichloro-1-hydroxyethyl)cyclohexyl]propane-2-sulfonamide
CID 66596009
3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile
CID 79132546
methyl (3S)-2,2-dichloro-3-cyclohexyl-3-hydroxypropanoate
CID 12034295
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
2,2-dichloro-1-cyclopropyl-2-ethylsulfonylethanol
CID 102550216

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol (CID 115837892) is 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol is CC(C)(C(O)C1CCC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol?
The InChIKey is QUGNSHHZZIVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(2,13(3,11)12)8(10)7-5-4-6-7/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol?
1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115837892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).