5-ethoxy-2,2-dimethyl-1,4-dioxane

C8H16O3 — CID 12732955

IUPAC5-ethoxy-2,2-dimethyl-1,4-dioxane
SMILESCCOC1COC(C)(C)CO1
InChIInChI=1S/C8H16O3/c1-4-9-7-5-11-8(2,3)6-10-7/h7H,4-6H2,1-3H3
InChIKeyPZHTUCJHUXGWQP-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.17
Rot. Bonds2

About 5-ethoxy-2,2-dimethyl-1,4-dioxane

5-ethoxy-2,2-dimethyl-1,4-dioxane (PubChem CID 12732955) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-ethoxy-2,2-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name5-ethoxy-2,2-dimethyl-1,4-dioxane
PubChem CID12732955
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-ethoxy-2,2-dimethyl-1,4-dioxane
SMILESCCOC1COC(C)(C)CO1
InChIInChI=1S/C8H16O3/c1-4-9-7-5-11-8(2,3)6-10-7/h7H,4-6H2,1-3H3
InChIKeyPZHTUCJHUXGWQP-UHFFFAOYSA-N
XLogP1.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dibutoxy-(1,4)dioxane
CID 3090645
2,3-DI-T-Butoxy-1,4-dioxane
CID 545346
2-Isopropyl-5-methoxy-1,3-dioxane
CID 45096111
3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane
CID 345052
Di-t-butoxyethane
CID 14560604
2-Ethoxy-3-diethoxymethyl-p-dioxane
CID 20431574
2,2-Dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane
CID 163661799
[1-Butan-2-yloxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite
CID 153901209
2-Tert-butoxy-1,4-dioxane
CID 274157
1,3-Dioxane, 4,4-dimethyl-2-propyl-
CID 12241252
2-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-1,3-dioxolane
CID 13801735
2-Methoxymethyl-5,5-dimethyl-1,3-dioxane
CID 14597942

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,2-dimethyl-1,4-dioxane?
The IUPAC name of 5-ethoxy-2,2-dimethyl-1,4-dioxane (CID 12732955) is 5-ethoxy-2,2-dimethyl-1,4-dioxane.
What is the SMILES notation for 5-ethoxy-2,2-dimethyl-1,4-dioxane?
The canonical SMILES for 5-ethoxy-2,2-dimethyl-1,4-dioxane is CCOC1COC(C)(C)CO1.
What is the InChIKey of 5-ethoxy-2,2-dimethyl-1,4-dioxane?
The InChIKey is PZHTUCJHUXGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-9-7-5-11-8(2,3)6-10-7/h7H,4-6H2,1-3H3.
What are the key properties of 5-ethoxy-2,2-dimethyl-1,4-dioxane?
5-ethoxy-2,2-dimethyl-1,4-dioxane has a molecular weight of 160.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,2-dimethyl-1,4-dioxane is sourced from PubChem (CID 12732955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).