(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane

C22H22O4Si — CID 164815992

IUPAC(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane
SMILESCO[SiH](OC)c1ccc2c(c1)COC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C22H22O4Si/c1-23-27(24-2)20-13-14-21-17(15-20)16-25-22(26-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,16H2,1-2H3
InChIKeyFVHDDZQAVINAKN-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.22
Rot. Bonds5

About (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane

(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane (PubChem CID 164815992) has the molecular formula C22H22O4Si and a molecular weight of 378.50 g/mol. Its IUPAC name is (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane.

Molecular Properties

Compound Name(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane
PubChem CID164815992
Molecular FormulaC22H22O4Si
Molecular Weight378.50 g/mol
Exact Mass378.13
IUPAC Name(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane
SMILESCO[SiH](OC)c1ccc2c(c1)COC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C22H22O4Si/c1-23-27(24-2)20-13-14-21-17(15-20)16-25-22(26-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,16H2,1-2H3
InChIKeyFVHDDZQAVINAKN-UHFFFAOYSA-N
XLogP3.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane 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 (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane?
The IUPAC name of (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane (CID 164815992) is (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane.
What is the SMILES notation for (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane?
The canonical SMILES for (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane is CO[SiH](OC)c1ccc2c(c1)COC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane?
The InChIKey is FVHDDZQAVINAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4Si/c1-23-27(24-2)20-13-14-21-17(15-20)16-25-22(26-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,16H2,1-2H3.
What are the key properties of (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane?
(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane has a molecular weight of 378.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane is sourced from PubChem (CID 164815992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).