2,4,6-trimethyl-1,3,5-dioxathiane

C6H12O2S — CID 23262324

IUPAC2,4,6-trimethyl-1,3,5-dioxathiane
SMILESCC1OC(C)SC(C)O1
InChIInChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKeyWUHFWXZFUPGXHX-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.80
Rot. Bonds

About 2,4,6-trimethyl-1,3,5-dioxathiane

2,4,6-trimethyl-1,3,5-dioxathiane (PubChem CID 23262324) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,3,5-dioxathiane.

Molecular Properties

Compound Name2,4,6-trimethyl-1,3,5-dioxathiane
PubChem CID23262324
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2,4,6-trimethyl-1,3,5-dioxathiane
SMILESCC1OC(C)SC(C)O1
InChIInChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKeyWUHFWXZFUPGXHX-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,3,5-dioxathiane?
The IUPAC name of 2,4,6-trimethyl-1,3,5-dioxathiane (CID 23262324) is 2,4,6-trimethyl-1,3,5-dioxathiane.
What is the SMILES notation for 2,4,6-trimethyl-1,3,5-dioxathiane?
The canonical SMILES for 2,4,6-trimethyl-1,3,5-dioxathiane is CC1OC(C)SC(C)O1.
What is the InChIKey of 2,4,6-trimethyl-1,3,5-dioxathiane?
The InChIKey is WUHFWXZFUPGXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,3,5-dioxathiane?
2,4,6-trimethyl-1,3,5-dioxathiane has a molecular weight of 148.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,3,5-dioxathiane is sourced from PubChem (CID 23262324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).