[4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol

C11H22O4S — CID 66024748

IUPAC[4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol
SMILESCCS(=O)(=O)CCCC1(CO)CCOCC1
InChIInChI=1S/C11H22O4S/c1-2-16(13,14)9-3-4-11(10-12)5-7-15-8-6-11/h12H,2-10H2,1H3
InChIKeyHHVBOIBUWWHDIE-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.99
Rot. Bonds6

About [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol

[4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol (PubChem CID 66024748) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol
PubChem CID66024748
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name[4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol
SMILESCCS(=O)(=O)CCCC1(CO)CCOCC1
InChIInChI=1S/C11H22O4S/c1-2-16(13,14)9-3-4-11(10-12)5-7-15-8-6-11/h12H,2-10H2,1H3
InChIKeyHHVBOIBUWWHDIE-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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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol?
The IUPAC name of [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol (CID 66024748) is [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol is CCS(=O)(=O)CCCC1(CO)CCOCC1.
What is the InChIKey of [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol?
The InChIKey is HHVBOIBUWWHDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-2-16(13,14)9-3-4-11(10-12)5-7-15-8-6-11/h12H,2-10H2,1H3.
What are the key properties of [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol?
[4-(3-ethylsulfonylpropyl)oxan-4-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 [4-(3-ethylsulfonylpropyl)oxan-4-yl]methanol is sourced from PubChem (CID 66024748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).