3-(3-methylsulfonylpropyl)oxolan-3-ol

C8H16O4S — CID 65145889

IUPAC3-(3-methylsulfonylpropyl)oxolan-3-ol
SMILESCS(=O)(=O)CCCC1(O)CCOC1
InChIInChI=1S/C8H16O4S/c1-13(10,11)6-2-3-8(9)4-5-12-7-8/h9H,2-7H2,1H3
InChIKeyXPCFCLRXRKOQTO-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.04
Rot. Bonds4

About 3-(3-methylsulfonylpropyl)oxolan-3-ol

3-(3-methylsulfonylpropyl)oxolan-3-ol (PubChem CID 65145889) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(3-methylsulfonylpropyl)oxolan-3-ol
PubChem CID65145889
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name3-(3-methylsulfonylpropyl)oxolan-3-ol
SMILESCS(=O)(=O)CCCC1(O)CCOC1
InChIInChI=1S/C8H16O4S/c1-13(10,11)6-2-3-8(9)4-5-12-7-8/h9H,2-7H2,1H3
InChIKeyXPCFCLRXRKOQTO-UHFFFAOYSA-N
XLogP-0.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 3-(3-hydroxyoxolan-3-yl)propane-1-sulfonate
CID 20593822
2,2-dimethyl-4-(3-methylsulfonylpropyl)oxan-4-ol
CID 65149000
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 65146620
3-[2-(methylamino)ethyl]oxolan-3-ol
CID 83904982
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
CID 103848177
3-pentyloxan-3-ol
CID 65148784
1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 81468436
4-butyloxan-4-ol
CID 65145508
3-octyloxan-3-ol
CID 65148950
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylpropyl)oxolan-3-ol?
The IUPAC name of 3-(3-methylsulfonylpropyl)oxolan-3-ol (CID 65145889) is 3-(3-methylsulfonylpropyl)oxolan-3-ol.
What is the SMILES notation for 3-(3-methylsulfonylpropyl)oxolan-3-ol?
The canonical SMILES for 3-(3-methylsulfonylpropyl)oxolan-3-ol is CS(=O)(=O)CCCC1(O)CCOC1.
What is the InChIKey of 3-(3-methylsulfonylpropyl)oxolan-3-ol?
The InChIKey is XPCFCLRXRKOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-13(10,11)6-2-3-8(9)4-5-12-7-8/h9H,2-7H2,1H3.
What are the key properties of 3-(3-methylsulfonylpropyl)oxolan-3-ol?
3-(3-methylsulfonylpropyl)oxolan-3-ol has a molecular weight of 208.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropyl)oxolan-3-ol is sourced from PubChem (CID 65145889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).