3-(diethoxymethyl)-2-ethoxyoxolane

C11H22O4 — CID 11579424

IUPAC3-(diethoxymethyl)-2-ethoxyoxolane
SMILESCCOC(OCC)C1CCOC1OCC
InChIInChI=1S/C11H22O4/c1-4-12-10(13-5-2)9-7-8-15-11(9)14-6-3/h9-11H,4-8H2,1-3H3
InChIKeyDNWIQYGZMJTBKC-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.78
Rot. Bonds7

About 3-(diethoxymethyl)-2-ethoxyoxolane

3-(diethoxymethyl)-2-ethoxyoxolane (PubChem CID 11579424) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-(diethoxymethyl)-2-ethoxyoxolane.

Molecular Properties

Compound Name3-(diethoxymethyl)-2-ethoxyoxolane
PubChem CID11579424
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-(diethoxymethyl)-2-ethoxyoxolane
SMILESCCOC(OCC)C1CCOC1OCC
InChIInChI=1S/C11H22O4/c1-4-12-10(13-5-2)9-7-8-15-11(9)14-6-3/h9-11H,4-8H2,1-3H3
InChIKeyDNWIQYGZMJTBKC-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.78
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 3-(diethoxymethyl)-2-ethoxyoxolane?
The IUPAC name of 3-(diethoxymethyl)-2-ethoxyoxolane (CID 11579424) is 3-(diethoxymethyl)-2-ethoxyoxolane.
What is the SMILES notation for 3-(diethoxymethyl)-2-ethoxyoxolane?
The canonical SMILES for 3-(diethoxymethyl)-2-ethoxyoxolane is CCOC(OCC)C1CCOC1OCC.
What is the InChIKey of 3-(diethoxymethyl)-2-ethoxyoxolane?
The InChIKey is DNWIQYGZMJTBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-12-10(13-5-2)9-7-8-15-11(9)14-6-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-(diethoxymethyl)-2-ethoxyoxolane?
3-(diethoxymethyl)-2-ethoxyoxolane has a molecular weight of 218.29 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethyl)-2-ethoxyoxolane is sourced from PubChem (CID 11579424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).