2-ethoxy-6-ethylsulfonylhexan-3-ol

C10H22O4S — CID 65095543

IUPAC2-ethoxy-6-ethylsulfonylhexan-3-ol
SMILESCCOC(C)C(O)CCCS(=O)(=O)CC
InChIInChI=1S/C10H22O4S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9-11H,4-8H2,1-3H3
InChIKeyUJLUYPDSDXSYCS-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.99
Rot. Bonds8

About 2-ethoxy-6-ethylsulfonylhexan-3-ol

2-ethoxy-6-ethylsulfonylhexan-3-ol (PubChem CID 65095543) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethoxy-6-ethylsulfonylhexan-3-ol.

Molecular Properties

Compound Name2-ethoxy-6-ethylsulfonylhexan-3-ol
PubChem CID65095543
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name2-ethoxy-6-ethylsulfonylhexan-3-ol
SMILESCCOC(C)C(O)CCCS(=O)(=O)CC
InChIInChI=1S/C10H22O4S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9-11H,4-8H2,1-3H3
InChIKeyUJLUYPDSDXSYCS-UHFFFAOYSA-N
XLogP0.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-ethylsulfonylhexan-3-ol?
The IUPAC name of 2-ethoxy-6-ethylsulfonylhexan-3-ol (CID 65095543) is 2-ethoxy-6-ethylsulfonylhexan-3-ol.
What is the SMILES notation for 2-ethoxy-6-ethylsulfonylhexan-3-ol?
The canonical SMILES for 2-ethoxy-6-ethylsulfonylhexan-3-ol is CCOC(C)C(O)CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethoxy-6-ethylsulfonylhexan-3-ol?
The InChIKey is UJLUYPDSDXSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethoxy-6-ethylsulfonylhexan-3-ol?
2-ethoxy-6-ethylsulfonylhexan-3-ol has a molecular weight of 238.35 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-ethylsulfonylhexan-3-ol is sourced from PubChem (CID 65095543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).