5-ethyl-6-methyl-4H-1,3-dioxine

C7H12O2 — CID 123840005

IUPAC5-ethyl-6-methyl-4H-1,3-dioxine
SMILESCCC1=C(C)OCOC1
InChIInChI=1S/C7H12O2/c1-3-7-4-8-5-9-6(7)2/h3-5H2,1-2H3
InChIKeyDILMLGWCIBPMDM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds1

About 5-ethyl-6-methyl-4H-1,3-dioxine

5-ethyl-6-methyl-4H-1,3-dioxine (PubChem CID 123840005) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-ethyl-6-methyl-4H-1,3-dioxine.

Molecular Properties

Compound Name5-ethyl-6-methyl-4H-1,3-dioxine
PubChem CID123840005
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-ethyl-6-methyl-4H-1,3-dioxine
SMILESCCC1=C(C)OCOC1
InChIInChI=1S/C7H12O2/c1-3-7-4-8-5-9-6(7)2/h3-5H2,1-2H3
InChIKeyDILMLGWCIBPMDM-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-6-methyl-4H-1,3-dioxin-2-one
CID 69479765
4,5-dimethyl-6-propyl-4H-1,3-dioxin-2-one
CID 69479846
6-ethyl-5-methyl-4H-1,3-dioxin-2-one
CID 69480761
5,6-dimethyl-4H-1,3-dioxine
CID 89005499
4,5,6-trimethyl-4H-1,3-dioxine
CID 90714144
5,6-di(propan-2-yl)-4H-1,3-dioxine
CID 118074203
2,4,5,6-tetramethyl-4H-1,3-dioxine
CID 146599886
4,5,6-trimethyl-4H-1,3-dioxin-2-one
CID 175530655

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-4H-1,3-dioxine?
The IUPAC name of 5-ethyl-6-methyl-4H-1,3-dioxine (CID 123840005) is 5-ethyl-6-methyl-4H-1,3-dioxine.
What is the SMILES notation for 5-ethyl-6-methyl-4H-1,3-dioxine?
The canonical SMILES for 5-ethyl-6-methyl-4H-1,3-dioxine is CCC1=C(C)OCOC1.
What is the InChIKey of 5-ethyl-6-methyl-4H-1,3-dioxine?
The InChIKey is DILMLGWCIBPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7-4-8-5-9-6(7)2/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-4H-1,3-dioxine?
5-ethyl-6-methyl-4H-1,3-dioxine has a molecular weight of 128.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-4H-1,3-dioxine is sourced from PubChem (CID 123840005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).