3-ethoxy-3-methyl-1,4-oxathian-2-ol

C7H14O3S — CID 15537159

IUPAC3-ethoxy-3-methyl-1,4-oxathian-2-ol
SMILESCCOC1(C)SCCOC1O
InChIInChI=1S/C7H14O3S/c1-3-10-7(2)6(8)9-4-5-11-7/h6,8H,3-5H2,1-2H3
InChIKeyHCWUTKKKYHKVTK-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.82
Rot. Bonds2

About 3-ethoxy-3-methyl-1,4-oxathian-2-ol

3-ethoxy-3-methyl-1,4-oxathian-2-ol (PubChem CID 15537159) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1,4-oxathian-2-ol
PubChem CID15537159
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-ethoxy-3-methyl-1,4-oxathian-2-ol
SMILESCCOC1(C)SCCOC1O
InChIInChI=1S/C7H14O3S/c1-3-10-7(2)6(8)9-4-5-11-7/h6,8H,3-5H2,1-2H3
InChIKeyHCWUTKKKYHKVTK-UHFFFAOYSA-N
XLogP0.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-3-methyl-1,4-oxathian-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-3-methyl-1,4-oxathiane
CID 58183535
[(2R,6S)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol
CID 129654589
(2s,6r)-6-hydroxymethyl-2-methoxy-1,4-oxathian-S-oxid
CID 23262054
3,3-Dimethyl-1,4-oxathian-2-ol
CID 15305315
3,5-Dimethyl-1,4-oxathian-2-ol
CID 58183446
3,6-Dimethyl-1,4-oxathian-2-ol
CID 58183486
5,6-Dimethyl-1,4-oxathian-2-ol
CID 58183531
5-Methyl-1,4-oxathian-2-ol
CID 58183533
6-Methyl-1,4-oxathian-2-ol
CID 58183550
3,5,6-Trimethyl-1,4-oxathian-2-ol
CID 58183635
3,3,5-Trimethyl-1,4-oxathian-2-ol
CID 58183667
2-(1,4-Oxathian-2-yloxy)propane-1,1-diol
CID 67690441

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1,4-oxathian-2-ol?
The IUPAC name of 3-ethoxy-3-methyl-1,4-oxathian-2-ol (CID 15537159) is 3-ethoxy-3-methyl-1,4-oxathian-2-ol.
What is the SMILES notation for 3-ethoxy-3-methyl-1,4-oxathian-2-ol?
The canonical SMILES for 3-ethoxy-3-methyl-1,4-oxathian-2-ol is CCOC1(C)SCCOC1O.
What is the InChIKey of 3-ethoxy-3-methyl-1,4-oxathian-2-ol?
The InChIKey is HCWUTKKKYHKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-10-7(2)6(8)9-4-5-11-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-ethoxy-3-methyl-1,4-oxathian-2-ol?
3-ethoxy-3-methyl-1,4-oxathian-2-ol has a molecular weight of 178.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1,4-oxathian-2-ol is sourced from PubChem (CID 15537159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).