2-(2,2-dimethoxyethyl)-1,3-dioxolane

C7H14O4 — CID 14470922

IUPAC2-(2,2-dimethoxyethyl)-1,3-dioxolane
SMILESCOC(CC1OCCO1)OC
InChIInChI=1S/C7H14O4/c1-8-6(9-2)5-7-10-3-4-11-7/h6-7H,3-5H2,1-2H3
InChIKeyGNZNSALDFUKYDI-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.37
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)-1,3-dioxolane

2-(2,2-dimethoxyethyl)-1,3-dioxolane (PubChem CID 14470922) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)-1,3-dioxolane
PubChem CID14470922
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(2,2-dimethoxyethyl)-1,3-dioxolane
SMILESCOC(CC1OCCO1)OC
InChIInChI=1S/C7H14O4/c1-8-6(9-2)5-7-10-3-4-11-7/h6-7H,3-5H2,1-2H3
InChIKeyGNZNSALDFUKYDI-UHFFFAOYSA-N
XLogP0.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.37
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 2-(2,2-dimethoxyethyl)-1,3-dioxolane?
The IUPAC name of 2-(2,2-dimethoxyethyl)-1,3-dioxolane (CID 14470922) is 2-(2,2-dimethoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,2-dimethoxyethyl)-1,3-dioxolane is COC(CC1OCCO1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)-1,3-dioxolane?
The InChIKey is GNZNSALDFUKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-8-6(9-2)5-7-10-3-4-11-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)-1,3-dioxolane?
2-(2,2-dimethoxyethyl)-1,3-dioxolane has a molecular weight of 162.18 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 14470922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).