2,5,6-trimethyl-1,3-oxathiane

C7H14OS — CID 548225

IUPAC2,5,6-trimethyl-1,3-oxathiane
SMILESCC1OC(C)C(C)CS1
InChIInChI=1S/C7H14OS/c1-5-4-9-7(3)8-6(5)2/h5-7H,4H2,1-3H3
InChIKeyQVEVMFNTJKZPNQ-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.12
Rot. Bonds

About 2,5,6-trimethyl-1,3-oxathiane

2,5,6-trimethyl-1,3-oxathiane (PubChem CID 548225) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2,5,6-trimethyl-1,3-oxathiane.

Molecular Properties

Compound Name2,5,6-trimethyl-1,3-oxathiane
PubChem CID548225
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2,5,6-trimethyl-1,3-oxathiane
SMILESCC1OC(C)C(C)CS1
InChIInChI=1S/C7H14OS/c1-5-4-9-7(3)8-6(5)2/h5-7H,4H2,1-3H3
InChIKeyQVEVMFNTJKZPNQ-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5,6-trimethyl-1,3-oxathiane 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

2,4,4-Trimethyl-1,3-oxathiane
CID 18539813
2,6-Dimethyl-1,4-oxathiane
CID 231901
2-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 568480
(r,s)-2-Methyl-[1,4]oxathiane
CID 13757283
1,3-Oxathiane, 2,4,6-trimethyl-, cis,cis-
CID 140915
2,3-Dimethyl-[1,4]oxathiane
CID 13291411
1,3-Oxathiane, 2-ethyl-2,6-dimethyl-, trans-
CID 22212713
1,3-Oxathiane, 2,5-dimethyl
CID 529078
1,3-Oxathiane, 2,2-dimethyl-
CID 534530
1,3-Oxathiane, 2-ethyl-2,6-dimethyl-
CID 537059
2,6-Dimethyl-1,3-oxathiane
CID 543657
2-Isopropyl-6-methyl-1,3-oxathiane
CID 544306

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-1,3-oxathiane?
The IUPAC name of 2,5,6-trimethyl-1,3-oxathiane (CID 548225) is 2,5,6-trimethyl-1,3-oxathiane.
What is the SMILES notation for 2,5,6-trimethyl-1,3-oxathiane?
The canonical SMILES for 2,5,6-trimethyl-1,3-oxathiane is CC1OC(C)C(C)CS1.
What is the InChIKey of 2,5,6-trimethyl-1,3-oxathiane?
The InChIKey is QVEVMFNTJKZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-4-9-7(3)8-6(5)2/h5-7H,4H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-1,3-oxathiane?
2,5,6-trimethyl-1,3-oxathiane has a molecular weight of 146.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1,3-oxathiane is sourced from PubChem (CID 548225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).