5,6-dimethyl-1,4-oxathian-2-ol

C6H12O2S — CID 58183531

IUPAC5,6-dimethyl-1,4-oxathian-2-ol
SMILESCC1OC(O)CSC1C
InChIInChI=1S/C6H12O2S/c1-4-5(2)9-3-6(7)8-4/h4-7H,3H2,1-2H3
InChIKeyUWPFRRGBSXZNSE-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.85
Rot. Bonds

About 5,6-dimethyl-1,4-oxathian-2-ol

5,6-dimethyl-1,4-oxathian-2-ol (PubChem CID 58183531) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 5,6-dimethyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name5,6-dimethyl-1,4-oxathian-2-ol
PubChem CID58183531
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name5,6-dimethyl-1,4-oxathian-2-ol
SMILESCC1OC(O)CSC1C
InChIInChI=1S/C6H12O2S/c1-4-5(2)9-3-6(7)8-4/h4-7H,3H2,1-2H3
InChIKeyUWPFRRGBSXZNSE-UHFFFAOYSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,4-oxathian-2-ol?
The IUPAC name of 5,6-dimethyl-1,4-oxathian-2-ol (CID 58183531) is 5,6-dimethyl-1,4-oxathian-2-ol.
What is the SMILES notation for 5,6-dimethyl-1,4-oxathian-2-ol?
The canonical SMILES for 5,6-dimethyl-1,4-oxathian-2-ol is CC1OC(O)CSC1C.
What is the InChIKey of 5,6-dimethyl-1,4-oxathian-2-ol?
The InChIKey is UWPFRRGBSXZNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-5(2)9-3-6(7)8-4/h4-7H,3H2,1-2H3.
What are the key properties of 5,6-dimethyl-1,4-oxathian-2-ol?
5,6-dimethyl-1,4-oxathian-2-ol has a molecular weight of 148.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,4-oxathian-2-ol is sourced from PubChem (CID 58183531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).