1,1-dimethoxyethane;1,3-dioxolane

C7H16O4 — CID 69091963

IUPAC1,1-dimethoxyethane;1,3-dioxolane
SMILESC1COCO1.COC(C)OC
InChIInChI=1S/C4H10O2.C3H6O2/c1-4(5-2)6-3;1-2-5-3-4-1/h4H,1-3H3;1-3H2
InChIKeyZYIHXDFXGKJZLG-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.62
Rot. Bonds2

About 1,1-dimethoxyethane;1,3-dioxolane

1,1-dimethoxyethane;1,3-dioxolane (PubChem CID 69091963) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,1-dimethoxyethane;1,3-dioxolane.

Molecular Properties

Compound Name1,1-dimethoxyethane;1,3-dioxolane
PubChem CID69091963
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name1,1-dimethoxyethane;1,3-dioxolane
SMILESC1COCO1.COC(C)OC
InChIInChI=1S/C4H10O2.C3H6O2/c1-4(5-2)6-3;1-2-5-3-4-1/h4H,1-3H3;1-3H2
InChIKeyZYIHXDFXGKJZLG-UHFFFAOYSA-N
XLogP0.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,1-dimethoxyethane;1,3-dioxolane?
The IUPAC name of 1,1-dimethoxyethane;1,3-dioxolane (CID 69091963) is 1,1-dimethoxyethane;1,3-dioxolane.
What is the SMILES notation for 1,1-dimethoxyethane;1,3-dioxolane?
The canonical SMILES for 1,1-dimethoxyethane;1,3-dioxolane is C1COCO1.COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane;1,3-dioxolane?
The InChIKey is ZYIHXDFXGKJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6O2/c1-4(5-2)6-3;1-2-5-3-4-1/h4H,1-3H3;1-3H2.
What are the key properties of 1,1-dimethoxyethane;1,3-dioxolane?
1,1-dimethoxyethane;1,3-dioxolane has a molecular weight of 164.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;1,3-dioxolane is sourced from PubChem (CID 69091963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).