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

C6H12O2S — CID 15305315

IUPAC3,3-dimethyl-1,4-oxathian-2-ol
SMILESCC1(C)SCCOC1O
InChIInChI=1S/C6H12O2S/c1-6(2)5(7)8-3-4-9-6/h5,7H,3-4H2,1-2H3
InChIKeyQIUPDKYHRUHQPT-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.85
Rot. Bonds

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

3,3-dimethyl-1,4-oxathian-2-ol (PubChem CID 15305315) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1,4-oxathian-2-ol
PubChem CID15305315
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3,3-dimethyl-1,4-oxathian-2-ol
SMILESCC1(C)SCCOC1O
InChIInChI=1S/C6H12O2S/c1-6(2)5(7)8-3-4-9-6/h5,7H,3-4H2,1-2H3
InChIKeyQIUPDKYHRUHQPT-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 3,3-dimethyl-1,4-oxathian-2-ol?
The IUPAC name of 3,3-dimethyl-1,4-oxathian-2-ol (CID 15305315) is 3,3-dimethyl-1,4-oxathian-2-ol.
What is the SMILES notation for 3,3-dimethyl-1,4-oxathian-2-ol?
The canonical SMILES for 3,3-dimethyl-1,4-oxathian-2-ol is CC1(C)SCCOC1O.
What is the InChIKey of 3,3-dimethyl-1,4-oxathian-2-ol?
The InChIKey is QIUPDKYHRUHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-6(2)5(7)8-3-4-9-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,4-oxathian-2-ol?
3,3-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 3,3-dimethyl-1,4-oxathian-2-ol is sourced from PubChem (CID 15305315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).