[4-(methylsulfonylmethyl)oxan-4-yl]methanol

C8H16O4S — CID 71757286

IUPAC[4-(methylsulfonylmethyl)oxan-4-yl]methanol
SMILESCS(=O)(=O)CC1(CO)CCOCC1
InChIInChI=1S/C8H16O4S/c1-13(10,11)7-8(6-9)2-4-12-5-3-8/h9H,2-7H2,1H3
InChIKeyZBFOZZCFDNGJGD-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.18
Rot. Bonds3

About [4-(methylsulfonylmethyl)oxan-4-yl]methanol

[4-(methylsulfonylmethyl)oxan-4-yl]methanol (PubChem CID 71757286) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is [4-(methylsulfonylmethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(methylsulfonylmethyl)oxan-4-yl]methanol
PubChem CID71757286
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name[4-(methylsulfonylmethyl)oxan-4-yl]methanol
SMILESCS(=O)(=O)CC1(CO)CCOCC1
InChIInChI=1S/C8H16O4S/c1-13(10,11)7-8(6-9)2-4-12-5-3-8/h9H,2-7H2,1H3
InChIKeyZBFOZZCFDNGJGD-UHFFFAOYSA-N
XLogP-0.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylsulfonylmethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(methylsulfonylmethyl)oxan-4-yl]methanol (CID 71757286) is [4-(methylsulfonylmethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(methylsulfonylmethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(methylsulfonylmethyl)oxan-4-yl]methanol is CS(=O)(=O)CC1(CO)CCOCC1.
What is the InChIKey of [4-(methylsulfonylmethyl)oxan-4-yl]methanol?
The InChIKey is ZBFOZZCFDNGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-13(10,11)7-8(6-9)2-4-12-5-3-8/h9H,2-7H2,1H3.
What are the key properties of [4-(methylsulfonylmethyl)oxan-4-yl]methanol?
[4-(methylsulfonylmethyl)oxan-4-yl]methanol has a molecular weight of 208.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylsulfonylmethyl)oxan-4-yl]methanol is sourced from PubChem (CID 71757286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).