3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane

C20H38O4Si2 — CID 123620205

IUPAC3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane
SMILESCCOC(CC[SiH2]c1ccc([SiH2]CCC(OCC)OCC)cc1)OCC
InChIInChI=1S/C20H38O4Si2/c1-5-21-19(22-6-2)13-15-25-17-9-11-18(12-10-17)26-16-14-20(23-7-3)24-8-4/h9-12,19-20H,5-8,13-16,25-26H2,1-4H3
InChIKeyWQXJKCBKBWHRKS-UHFFFAOYSA-N
MW398.69 g/mol
LogP1.69
Rot. Bonds16

About 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane

3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane (PubChem CID 123620205) has the molecular formula C20H38O4Si2 and a molecular weight of 398.69 g/mol. Its IUPAC name is 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane.

Molecular Properties

Compound Name3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane
PubChem CID123620205
Molecular FormulaC20H38O4Si2
Molecular Weight398.69 g/mol
Exact Mass398.23
IUPAC Name3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane
SMILESCCOC(CC[SiH2]c1ccc([SiH2]CCC(OCC)OCC)cc1)OCC
InChIInChI=1S/C20H38O4Si2/c1-5-21-19(22-6-2)13-15-25-17-9-11-18(12-10-17)26-16-14-20(23-7-3)24-8-4/h9-12,19-20H,5-8,13-16,25-26H2,1-4H3
InChIKeyWQXJKCBKBWHRKS-UHFFFAOYSA-N
XLogP1.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.69
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane 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 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane?
The IUPAC name of 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane (CID 123620205) is 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane.
What is the SMILES notation for 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane?
The canonical SMILES for 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane is CCOC(CC[SiH2]c1ccc([SiH2]CCC(OCC)OCC)cc1)OCC.
What is the InChIKey of 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane?
The InChIKey is WQXJKCBKBWHRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4Si2/c1-5-21-19(22-6-2)13-15-25-17-9-11-18(12-10-17)26-16-14-20(23-7-3)24-8-4/h9-12,19-20H,5-8,13-16,25-26H2,1-4H3.
What are the key properties of 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane?
3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane has a molecular weight of 398.69 g/mol, XLogP of 1.69, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane is sourced from PubChem (CID 123620205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).