2-ethoxy-2-methyl-1,3-dioxane

C7H14O3 — CID 15327468

IUPAC2-ethoxy-2-methyl-1,3-dioxane
SMILESCCOC1(C)OCCCO1
InChIInChI=1S/C7H14O3/c1-3-8-7(2)9-5-4-6-10-7/h3-6H2,1-2H3
InChIKeyPVFIDIPCRFLPTG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds2

About 2-ethoxy-2-methyl-1,3-dioxane

2-ethoxy-2-methyl-1,3-dioxane (PubChem CID 15327468) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1,3-dioxane
PubChem CID15327468
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-ethoxy-2-methyl-1,3-dioxane
SMILESCCOC1(C)OCCCO1
InChIInChI=1S/C7H14O3/c1-3-8-7(2)9-5-4-6-10-7/h3-6H2,1-2H3
InChIKeyPVFIDIPCRFLPTG-UHFFFAOYSA-N
XLogP1.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1,3-dioxane?
The IUPAC name of 2-ethoxy-2-methyl-1,3-dioxane (CID 15327468) is 2-ethoxy-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-ethoxy-2-methyl-1,3-dioxane?
The canonical SMILES for 2-ethoxy-2-methyl-1,3-dioxane is CCOC1(C)OCCCO1.
What is the InChIKey of 2-ethoxy-2-methyl-1,3-dioxane?
The InChIKey is PVFIDIPCRFLPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-8-7(2)9-5-4-6-10-7/h3-6H2,1-2H3.
What are the key properties of 2-ethoxy-2-methyl-1,3-dioxane?
2-ethoxy-2-methyl-1,3-dioxane has a molecular weight of 146.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1,3-dioxane is sourced from PubChem (CID 15327468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).