5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane

C18H26O7 — CID 177315409

IUPAC5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane
SMILESCCC1(COCC2CO2)COC(c2ccc(COCC3CO3)o2)OC1
InChIInChI=1S/C18H26O7/c1-2-18(10-20-7-15-9-22-15)11-23-17(24-12-18)16-4-3-13(25-16)5-19-6-14-8-21-14/h3-4,14-15,17H,2,5-12H2,1H3
InChIKeyXOYKXQDZYLOXOZ-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.05
Rot. Bonds10

About 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane

5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane (PubChem CID 177315409) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol. Its IUPAC name is 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane
PubChem CID177315409
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane
SMILESCCC1(COCC2CO2)COC(c2ccc(COCC3CO3)o2)OC1
InChIInChI=1S/C18H26O7/c1-2-18(10-20-7-15-9-22-15)11-23-17(24-12-18)16-4-3-13(25-16)5-19-6-14-8-21-14/h3-4,14-15,17H,2,5-12H2,1H3
InChIKeyXOYKXQDZYLOXOZ-UHFFFAOYSA-N
XLogP2.05
TPSA75.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane?
The IUPAC name of 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane (CID 177315409) is 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane.
What is the SMILES notation for 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane?
The canonical SMILES for 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane is CCC1(COCC2CO2)COC(c2ccc(COCC3CO3)o2)OC1.
What is the InChIKey of 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane?
The InChIKey is XOYKXQDZYLOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O7/c1-2-18(10-20-7-15-9-22-15)11-23-17(24-12-18)16-4-3-13(25-16)5-19-6-14-8-21-14/h3-4,14-15,17H,2,5-12H2,1H3.
What are the key properties of 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane?
5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane has a molecular weight of 354.40 g/mol, XLogP of 2.05, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane is sourced from PubChem (CID 177315409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).