1,4-bis(diethoxymethyl)benzene

C16H26O4 — CID 44719720

IUPAC1,4-bis(diethoxymethyl)benzene
SMILESCCOC(OCC)c1ccc(C(OCC)OCC)cc1
InChIInChI=1S/C16H26O4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12,15-16H,5-8H2,1-4H3
InChIKeyDASGCPYQJHPYBK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.83
Rot. Bonds10

About 1,4-bis(diethoxymethyl)benzene

1,4-bis(diethoxymethyl)benzene (PubChem CID 44719720) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,4-bis(diethoxymethyl)benzene.

Molecular Properties

Compound Name1,4-bis(diethoxymethyl)benzene
PubChem CID44719720
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1,4-bis(diethoxymethyl)benzene
SMILESCCOC(OCC)c1ccc(C(OCC)OCC)cc1
InChIInChI=1S/C16H26O4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12,15-16H,5-8H2,1-4H3
InChIKeyDASGCPYQJHPYBK-UHFFFAOYSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.83
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 1,4-bis(diethoxymethyl)benzene 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 1,4-bis(diethoxymethyl)benzene?
The IUPAC name of 1,4-bis(diethoxymethyl)benzene (CID 44719720) is 1,4-bis(diethoxymethyl)benzene.
What is the SMILES notation for 1,4-bis(diethoxymethyl)benzene?
The canonical SMILES for 1,4-bis(diethoxymethyl)benzene is CCOC(OCC)c1ccc(C(OCC)OCC)cc1.
What is the InChIKey of 1,4-bis(diethoxymethyl)benzene?
The InChIKey is DASGCPYQJHPYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12,15-16H,5-8H2,1-4H3.
What are the key properties of 1,4-bis(diethoxymethyl)benzene?
1,4-bis(diethoxymethyl)benzene has a molecular weight of 282.38 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(diethoxymethyl)benzene is sourced from PubChem (CID 44719720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).