5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane

C12H24O3 — CID 28514

IUPAC5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane
SMILESCCC1(CCOC)COC(C(C)C)OC1
InChIInChI=1S/C12H24O3/c1-5-12(6-7-13-4)8-14-11(10(2)3)15-9-12/h10-11H,5-9H2,1-4H3
InChIKeyDLDWSRMEZOEAGS-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.45
Rot. Bonds5

About 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane

5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane (PubChem CID 28514) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane
PubChem CID28514
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane
SMILESCCC1(CCOC)COC(C(C)C)OC1
InChIInChI=1S/C12H24O3/c1-5-12(6-7-13-4)8-14-11(10(2)3)15-9-12/h10-11H,5-9H2,1-4H3
InChIKeyDLDWSRMEZOEAGS-UHFFFAOYSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-
CID 166523
1,3-Dioxane, 5,5-diethyl-
CID 18821
2H-Pyran, tetrahydro-2-ethoxy-4-methyl-
CID 33152
2-(Propan-2-yl)-5-propyl-1,3-dioxane
CID 29627
2-Methyl-5-propyl-1,3-dioxane
CID 31464
1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-
CID 107113
5-Ethyl-5-(1-methoxyethyl)-2-(propan-2-yl)-1,3-dioxane
CID 28513
2-Methyl-5-(1-((propan-2-yl)oxy)ethyl)-5-propyl-1,3-dioxane
CID 29628
5-(Methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane
CID 31450
5-Ethyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane
CID 31452
m-DIOXANE, 5-(2-METHOXYETHYL)-2,5-DIMETHYL-, (Z)-
CID 31460
5-(2-Methoxyethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
CID 31461

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane (CID 28514) is 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane is CCC1(CCOC)COC(C(C)C)OC1.
What is the InChIKey of 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
The InChIKey is DLDWSRMEZOEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-12(6-7-13-4)8-14-11(10(2)3)15-9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane has a molecular weight of 216.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 28514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).