4-methoxy-1-methylsulfonylhexan-3-ol

C8H18O4S — CID 116710913

IUPAC4-methoxy-1-methylsulfonylhexan-3-ol
SMILESCCC(OC)C(O)CCS(C)(=O)=O
InChIInChI=1S/C8H18O4S/c1-4-8(12-2)7(9)5-6-13(3,10)11/h7-9H,4-6H2,1-3H3
InChIKeyKZCWASLXOXMVJL-UHFFFAOYSA-N
MW210.29 g/mol
LogP0.21
Rot. Bonds6

About 4-methoxy-1-methylsulfonylhexan-3-ol

4-methoxy-1-methylsulfonylhexan-3-ol (PubChem CID 116710913) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 4-methoxy-1-methylsulfonylhexan-3-ol.

Molecular Properties

Compound Name4-methoxy-1-methylsulfonylhexan-3-ol
PubChem CID116710913
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-1-methylsulfonylhexan-3-ol
SMILESCCC(OC)C(O)CCS(C)(=O)=O
InChIInChI=1S/C8H18O4S/c1-4-8(12-2)7(9)5-6-13(3,10)11/h7-9H,4-6H2,1-3H3
InChIKeyKZCWASLXOXMVJL-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylsulfonylhexan-3-ol?
The IUPAC name of 4-methoxy-1-methylsulfonylhexan-3-ol (CID 116710913) is 4-methoxy-1-methylsulfonylhexan-3-ol.
What is the SMILES notation for 4-methoxy-1-methylsulfonylhexan-3-ol?
The canonical SMILES for 4-methoxy-1-methylsulfonylhexan-3-ol is CCC(OC)C(O)CCS(C)(=O)=O.
What is the InChIKey of 4-methoxy-1-methylsulfonylhexan-3-ol?
The InChIKey is KZCWASLXOXMVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-4-8(12-2)7(9)5-6-13(3,10)11/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-1-methylsulfonylhexan-3-ol?
4-methoxy-1-methylsulfonylhexan-3-ol has a molecular weight of 210.29 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylsulfonylhexan-3-ol is sourced from PubChem (CID 116710913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).