1,4-dioxane;trimethoxymethane

C8H18O5 — CID 18379719

IUPAC1,4-dioxane;trimethoxymethane
SMILESC1COCCO1.COC(OC)OC
InChIInChI=1S/C4H10O3.C4H8O2/c1-5-4(6-2)7-3;1-2-6-4-3-5-1/h4H,1-3H3;1-4H2
InChIKeyORDIHHNPUBIGML-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.24
Rot. Bonds3

About 1,4-dioxane;trimethoxymethane

1,4-dioxane;trimethoxymethane (PubChem CID 18379719) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,4-dioxane;trimethoxymethane.

Molecular Properties

Compound Name1,4-dioxane;trimethoxymethane
PubChem CID18379719
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name1,4-dioxane;trimethoxymethane
SMILESC1COCCO1.COC(OC)OC
InChIInChI=1S/C4H10O3.C4H8O2/c1-5-4(6-2)7-3;1-2-6-4-3-5-1/h4H,1-3H3;1-4H2
InChIKeyORDIHHNPUBIGML-UHFFFAOYSA-N
XLogP0.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;trimethoxymethane?
The IUPAC name of 1,4-dioxane;trimethoxymethane (CID 18379719) is 1,4-dioxane;trimethoxymethane.
What is the SMILES notation for 1,4-dioxane;trimethoxymethane?
The canonical SMILES for 1,4-dioxane;trimethoxymethane is C1COCCO1.COC(OC)OC.
What is the InChIKey of 1,4-dioxane;trimethoxymethane?
The InChIKey is ORDIHHNPUBIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C4H8O2/c1-5-4(6-2)7-3;1-2-6-4-3-5-1/h4H,1-3H3;1-4H2.
What are the key properties of 1,4-dioxane;trimethoxymethane?
1,4-dioxane;trimethoxymethane has a molecular weight of 194.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;trimethoxymethane is sourced from PubChem (CID 18379719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).