3,6-dimethyl-1,4-oxathian-2-ol

C6H12O2S — CID 58183486

IUPAC3,6-dimethyl-1,4-oxathian-2-ol
SMILESCC1CSC(C)C(O)O1
InChIInChI=1S/C6H12O2S/c1-4-3-9-5(2)6(7)8-4/h4-7H,3H2,1-2H3
InChIKeyDTYYBOCOIYKTMX-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.85
Rot. Bonds

About 3,6-dimethyl-1,4-oxathian-2-ol

3,6-dimethyl-1,4-oxathian-2-ol (PubChem CID 58183486) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3,6-dimethyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name3,6-dimethyl-1,4-oxathian-2-ol
PubChem CID58183486
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3,6-dimethyl-1,4-oxathian-2-ol
SMILESCC1CSC(C)C(O)O1
InChIInChI=1S/C6H12O2S/c1-4-3-9-5(2)6(7)8-4/h4-7H,3H2,1-2H3
InChIKeyDTYYBOCOIYKTMX-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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Related Compounds

2-Hydroxy-3-methyl-1,4-oxathiane
CID 58183535
2-Hydroxy-3-methyl-3-ethoxy-1,4-oxathiane
CID 15537159
3,3-Dimethyl-1,4-oxathian-2-ol
CID 15305315
3,5-Dimethyl-1,4-oxathian-2-ol
CID 58183446
2-Methyl-1,4-oxathian-2-ol
CID 58183455
7-Methyl-1,4-oxathiepan-2-ol
CID 58183474
3-Methyl-1,4-oxathiepan-2-ol
CID 58183508
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
2,5-Dimethyl-1,4-oxathian-2-ol
CID 58183555
2,3-Dimethyl-1,4-oxathian-2-ol
CID 58183588

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,4-oxathian-2-ol?
The IUPAC name of 3,6-dimethyl-1,4-oxathian-2-ol (CID 58183486) is 3,6-dimethyl-1,4-oxathian-2-ol.
What is the SMILES notation for 3,6-dimethyl-1,4-oxathian-2-ol?
The canonical SMILES for 3,6-dimethyl-1,4-oxathian-2-ol is CC1CSC(C)C(O)O1.
What is the InChIKey of 3,6-dimethyl-1,4-oxathian-2-ol?
The InChIKey is DTYYBOCOIYKTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-3-9-5(2)6(7)8-4/h4-7H,3H2,1-2H3.
What are the key properties of 3,6-dimethyl-1,4-oxathian-2-ol?
3,6-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 3,6-dimethyl-1,4-oxathian-2-ol is sourced from PubChem (CID 58183486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).