3,3,5-trimethyl-1,4-oxathian-2-ol

C7H14O2S — CID 58183667

IUPAC3,3,5-trimethyl-1,4-oxathian-2-ol
SMILESCC1COC(O)C(C)(C)S1
InChIInChI=1S/C7H14O2S/c1-5-4-9-6(8)7(2,3)10-5/h5-6,8H,4H2,1-3H3
InChIKeySSFYHHSZIYZZDX-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.24
Rot. Bonds

About 3,3,5-trimethyl-1,4-oxathian-2-ol

3,3,5-trimethyl-1,4-oxathian-2-ol (PubChem CID 58183667) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1,4-oxathian-2-ol
PubChem CID58183667
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name3,3,5-trimethyl-1,4-oxathian-2-ol
SMILESCC1COC(O)C(C)(C)S1
InChIInChI=1S/C7H14O2S/c1-5-4-9-6(8)7(2,3)10-5/h5-6,8H,4H2,1-3H3
InChIKeySSFYHHSZIYZZDX-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1,4-oxathian-2-ol?
The IUPAC name of 3,3,5-trimethyl-1,4-oxathian-2-ol (CID 58183667) is 3,3,5-trimethyl-1,4-oxathian-2-ol.
What is the SMILES notation for 3,3,5-trimethyl-1,4-oxathian-2-ol?
The canonical SMILES for 3,3,5-trimethyl-1,4-oxathian-2-ol is CC1COC(O)C(C)(C)S1.
What is the InChIKey of 3,3,5-trimethyl-1,4-oxathian-2-ol?
The InChIKey is SSFYHHSZIYZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-5-4-9-6(8)7(2,3)10-5/h5-6,8H,4H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1,4-oxathian-2-ol?
3,3,5-trimethyl-1,4-oxathian-2-ol has a molecular weight of 162.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1,4-oxathian-2-ol is sourced from PubChem (CID 58183667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).