4-methoxy-2,6-dimethylthiane 1-oxide

C8H16O2S — CID 170676933

IUPAC4-methoxy-2,6-dimethylthiane 1-oxide
SMILESCOC1CC(C)S(=O)C(C)C1
InChIInChI=1S/C8H16O2S/c1-6-4-8(10-3)5-7(2)11(6)9/h6-8H,4-5H2,1-3H3
InChIKeyPRPSWIBSHSPTLJ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.32
Rot. Bonds1

About 4-methoxy-2,6-dimethylthiane 1-oxide

4-methoxy-2,6-dimethylthiane 1-oxide (PubChem CID 170676933) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethylthiane 1-oxide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethylthiane 1-oxide
PubChem CID170676933
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name4-methoxy-2,6-dimethylthiane 1-oxide
SMILESCOC1CC(C)S(=O)C(C)C1
InChIInChI=1S/C8H16O2S/c1-6-4-8(10-3)5-7(2)11(6)9/h6-8H,4-5H2,1-3H3
InChIKeyPRPSWIBSHSPTLJ-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethylthiane 1-oxide?
The IUPAC name of 4-methoxy-2,6-dimethylthiane 1-oxide (CID 170676933) is 4-methoxy-2,6-dimethylthiane 1-oxide.
What is the SMILES notation for 4-methoxy-2,6-dimethylthiane 1-oxide?
The canonical SMILES for 4-methoxy-2,6-dimethylthiane 1-oxide is COC1CC(C)S(=O)C(C)C1.
What is the InChIKey of 4-methoxy-2,6-dimethylthiane 1-oxide?
The InChIKey is PRPSWIBSHSPTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6-4-8(10-3)5-7(2)11(6)9/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethylthiane 1-oxide?
4-methoxy-2,6-dimethylthiane 1-oxide has a molecular weight of 176.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethylthiane 1-oxide is sourced from PubChem (CID 170676933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).