2-ethyl-2-methyl-4H-1,3-dioxine

C7H12O2 — CID 175323270

IUPAC2-ethyl-2-methyl-4H-1,3-dioxine
SMILESCCC1(C)OC=CCO1
InChIInChI=1S/C7H12O2/c1-3-7(2)8-5-4-6-9-7/h4-5H,3,6H2,1-2H3
InChIKeyHQSNYHMCGAXOAV-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds1

About 2-ethyl-2-methyl-4H-1,3-dioxine

2-ethyl-2-methyl-4H-1,3-dioxine (PubChem CID 175323270) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4H-1,3-dioxine.

Molecular Properties

Compound Name2-ethyl-2-methyl-4H-1,3-dioxine
PubChem CID175323270
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethyl-2-methyl-4H-1,3-dioxine
SMILESCCC1(C)OC=CCO1
InChIInChI=1S/C7H12O2/c1-3-7(2)8-5-4-6-9-7/h4-5H,3,6H2,1-2H3
InChIKeyHQSNYHMCGAXOAV-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4H-1,3-dioxine?
The IUPAC name of 2-ethyl-2-methyl-4H-1,3-dioxine (CID 175323270) is 2-ethyl-2-methyl-4H-1,3-dioxine.
What is the SMILES notation for 2-ethyl-2-methyl-4H-1,3-dioxine?
The canonical SMILES for 2-ethyl-2-methyl-4H-1,3-dioxine is CCC1(C)OC=CCO1.
What is the InChIKey of 2-ethyl-2-methyl-4H-1,3-dioxine?
The InChIKey is HQSNYHMCGAXOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(2)8-5-4-6-9-7/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-4H-1,3-dioxine?
2-ethyl-2-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 2-ethyl-2-methyl-4H-1,3-dioxine is sourced from PubChem (CID 175323270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).