1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol

C9H20O4S — CID 65146333

IUPAC1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol
SMILESCOCCC(C)(O)CCCS(C)(=O)=O
InChIInChI=1S/C9H20O4S/c1-9(10,6-7-13-2)5-4-8-14(3,11)12/h10H,4-8H2,1-3H3
InChIKeyKWKYJWPXFONYFV-UHFFFAOYSA-N
MW224.32 g/mol
LogP0.60
Rot. Bonds7

About 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol

1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol (PubChem CID 65146333) has the molecular formula C9H20O4S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol.

Molecular Properties

Compound Name1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol
PubChem CID65146333
Molecular FormulaC9H20O4S
Molecular Weight224.32 g/mol
Exact Mass224.11
IUPAC Name1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol
SMILESCOCCC(C)(O)CCCS(C)(=O)=O
InChIInChI=1S/C9H20O4S/c1-9(10,6-7-13-2)5-4-8-14(3,11)12/h10H,4-8H2,1-3H3
InChIKeyKWKYJWPXFONYFV-UHFFFAOYSA-N
XLogP0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol?
The IUPAC name of 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol (CID 65146333) is 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol.
What is the SMILES notation for 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol?
The canonical SMILES for 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol is COCCC(C)(O)CCCS(C)(=O)=O.
What is the InChIKey of 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol?
The InChIKey is KWKYJWPXFONYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4S/c1-9(10,6-7-13-2)5-4-8-14(3,11)12/h10H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol?
1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol has a molecular weight of 224.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol is sourced from PubChem (CID 65146333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).