4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol

C10H20O4S — CID 114982933

IUPAC4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
SMILESCS(=O)(=O)CCC(O)CC1CCCCO1
InChIInChI=1S/C10H20O4S/c1-15(12,13)7-5-9(11)8-10-4-2-3-6-14-10/h9-11H,2-8H2,1H3
InChIKeyZCVTUSBBYFEKLX-UHFFFAOYSA-N
MW236.33 g/mol
LogP0.74
Rot. Bonds5

About 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol

4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol (PubChem CID 114982933) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
PubChem CID114982933
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
SMILESCS(=O)(=O)CCC(O)CC1CCCCO1
InChIInChI=1S/C10H20O4S/c1-15(12,13)7-5-9(11)8-10-4-2-3-6-14-10/h9-11H,2-8H2,1H3
InChIKeyZCVTUSBBYFEKLX-UHFFFAOYSA-N
XLogP0.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
CID 114474030
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
1-(oxolan-2-yl)heptan-2-ol
CID 62606693
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
(2R)-2-(2-methylpropyl)oxane
CID 58653197
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol?
The IUPAC name of 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol (CID 114982933) is 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol.
What is the SMILES notation for 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol?
The canonical SMILES for 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol is CS(=O)(=O)CCC(O)CC1CCCCO1.
What is the InChIKey of 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol?
The InChIKey is ZCVTUSBBYFEKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-15(12,13)7-5-9(11)8-10-4-2-3-6-14-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol?
4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol has a molecular weight of 236.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol is sourced from PubChem (CID 114982933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).