4-(diethoxymethyl)-2-methyl-1,3-dioxolane

C9H18O4 — CID 54005776

IUPAC4-(diethoxymethyl)-2-methyl-1,3-dioxolane
SMILESCCOC(OCC)C1COC(C)O1
InChIInChI=1S/C9H18O4/c1-4-10-9(11-5-2)8-6-12-7(3)13-8/h7-9H,4-6H2,1-3H3
InChIKeyKOTXSXMOICCYLD-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.15
Rot. Bonds5

About 4-(diethoxymethyl)-2-methyl-1,3-dioxolane

4-(diethoxymethyl)-2-methyl-1,3-dioxolane (PubChem CID 54005776) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(diethoxymethyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(diethoxymethyl)-2-methyl-1,3-dioxolane
PubChem CID54005776
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name4-(diethoxymethyl)-2-methyl-1,3-dioxolane
SMILESCCOC(OCC)C1COC(C)O1
InChIInChI=1S/C9H18O4/c1-4-10-9(11-5-2)8-6-12-7(3)13-8/h7-9H,4-6H2,1-3H3
InChIKeyKOTXSXMOICCYLD-UHFFFAOYSA-N
XLogP1.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(diethoxymethyl)-2-methyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 4-(diethoxymethyl)-2-methyl-1,3-dioxolane (CID 54005776) is 4-(diethoxymethyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4-(diethoxymethyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 4-(diethoxymethyl)-2-methyl-1,3-dioxolane is CCOC(OCC)C1COC(C)O1.
What is the InChIKey of 4-(diethoxymethyl)-2-methyl-1,3-dioxolane?
The InChIKey is KOTXSXMOICCYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-10-9(11-5-2)8-6-12-7(3)13-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-(diethoxymethyl)-2-methyl-1,3-dioxolane?
4-(diethoxymethyl)-2-methyl-1,3-dioxolane has a molecular weight of 190.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 54005776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).