3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine

C9H16O2 — CID 143588141

IUPAC3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine
SMILESCCC1(C)COC(C)=C(C)O1
InChIInChI=1S/C9H16O2/c1-5-9(4)6-10-7(2)8(3)11-9/h5-6H2,1-4H3
InChIKeyGQEXCGIBHLQCKH-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds1

About 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine

3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine (PubChem CID 143588141) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine.

Molecular Properties

Compound Name3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine
PubChem CID143588141
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine
SMILESCCC1(C)COC(C)=C(C)O1
InChIInChI=1S/C9H16O2/c1-5-9(4)6-10-7(2)8(3)11-9/h5-6H2,1-4H3
InChIKeyGQEXCGIBHLQCKH-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,5-Pentamethyl-1,4-dioxine
CID 12591607
2-Methoxy-2,3-dimethyl-3-(3-methylbut-2-en-2-yloxy)butane
CID 53644627
5,6-Dimethyl-2,3-dihydro-1,4-dioxine;ethane
CID 91323625
2,2,3,3,5,6-Hexamethyl-1,4-dioxine
CID 122631119
2-Methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane
CID 123149525
5,6-Dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane
CID 143370070
5,6-Dimethyl-2,3-dihydro-1,4-dioxine;ethane
CID 143961583
5,6-Dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane
CID 177233187

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine?
The IUPAC name of 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine (CID 143588141) is 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine.
What is the SMILES notation for 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine?
The canonical SMILES for 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine is CCC1(C)COC(C)=C(C)O1.
What is the InChIKey of 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine?
The InChIKey is GQEXCGIBHLQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-9(4)6-10-7(2)8(3)11-9/h5-6H2,1-4H3.
What are the key properties of 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine?
3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine has a molecular weight of 156.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine is sourced from PubChem (CID 143588141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).