[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol

C11H22O4S — CID 66059232

IUPAC[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
SMILESCCS(=O)(=O)CCCC1(CO)CCCOC1
InChIInChI=1S/C11H22O4S/c1-2-16(13,14)8-4-6-11(9-12)5-3-7-15-10-11/h12H,2-10H2,1H3
InChIKeyBVKQCFHXVFKGHR-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.99
Rot. Bonds6

About [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol

[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol (PubChem CID 66059232) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
PubChem CID66059232
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
SMILESCCS(=O)(=O)CCCC1(CO)CCCOC1
InChIInChI=1S/C11H22O4S/c1-2-16(13,14)8-4-6-11(9-12)5-3-7-15-10-11/h12H,2-10H2,1H3
InChIKeyBVKQCFHXVFKGHR-UHFFFAOYSA-N
XLogP0.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
(3-octyloxan-3-yl)methanol
CID 66058603
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 65097181
4-(chloromethyl)-4-(3-ethylsulfonylpropyl)oxane
CID 66035549
3,3-dipentyloxane
CID 174267507
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
CID 66058186
1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
CID 65194813

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol?
The IUPAC name of [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol (CID 66059232) is [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol.
What is the SMILES notation for [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol?
The canonical SMILES for [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol is CCS(=O)(=O)CCCC1(CO)CCCOC1.
What is the InChIKey of [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol?
The InChIKey is BVKQCFHXVFKGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-2-16(13,14)8-4-6-11(9-12)5-3-7-15-10-11/h12H,2-10H2,1H3.
What are the key properties of [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol?
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol has a molecular weight of 250.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol is sourced from PubChem (CID 66059232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).