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

C9H18O2S — CID 91750809

IUPAC2,4,6-triethyl-1,3,5-dioxathiane
SMILESCCC1OC(CC)SC(CC)O1
InChIInChI=1S/C9H18O2S/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
InChIKeySVNXDVGQOSCMJR-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.97
Rot. Bonds3

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

2,4,6-triethyl-1,3,5-dioxathiane (PubChem CID 91750809) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2,4,6-triethyl-1,3,5-dioxathiane.

Molecular Properties

Compound Name2,4,6-triethyl-1,3,5-dioxathiane
PubChem CID91750809
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2,4,6-triethyl-1,3,5-dioxathiane
SMILESCCC1OC(CC)SC(CC)O1
InChIInChI=1S/C9H18O2S/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
InChIKeySVNXDVGQOSCMJR-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-1,3,5-dioxathiane?
The IUPAC name of 2,4,6-triethyl-1,3,5-dioxathiane (CID 91750809) is 2,4,6-triethyl-1,3,5-dioxathiane.
What is the SMILES notation for 2,4,6-triethyl-1,3,5-dioxathiane?
The canonical SMILES for 2,4,6-triethyl-1,3,5-dioxathiane is CCC1OC(CC)SC(CC)O1.
What is the InChIKey of 2,4,6-triethyl-1,3,5-dioxathiane?
The InChIKey is SVNXDVGQOSCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,4,6-triethyl-1,3,5-dioxathiane?
2,4,6-triethyl-1,3,5-dioxathiane has a molecular weight of 190.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-1,3,5-dioxathiane is sourced from PubChem (CID 91750809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).