(2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane

C21H32O4Si2 — CID 173014982

IUPAC(2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane
SMILESCCOc1cccc([SiH2]C[SiH2]c2cccc(OCC)c2OCC)c1OCC
InChIInChI=1S/C21H32O4Si2/c1-5-22-16-11-9-13-18(20(16)24-7-3)26-15-27-19-14-10-12-17(23-6-2)21(19)25-8-4/h9-14H,5-8,15,26-27H2,1-4H3
InChIKeyZOLVIJBEFJURND-UHFFFAOYSA-N
MW404.66 g/mol
LogP1.95
Rot. Bonds12

About (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane

(2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane (PubChem CID 173014982) has the molecular formula C21H32O4Si2 and a molecular weight of 404.66 g/mol. Its IUPAC name is (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane.

Molecular Properties

Compound Name(2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane
PubChem CID173014982
Molecular FormulaC21H32O4Si2
Molecular Weight404.66 g/mol
Exact Mass404.18
IUPAC Name(2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane
SMILESCCOc1cccc([SiH2]C[SiH2]c2cccc(OCC)c2OCC)c1OCC
InChIInChI=1S/C21H32O4Si2/c1-5-22-16-11-9-13-18(20(16)24-7-3)26-15-27-19-14-10-12-17(23-6-2)21(19)25-8-4/h9-14H,5-8,15,26-27H2,1-4H3
InChIKeyZOLVIJBEFJURND-UHFFFAOYSA-N
XLogP1.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.66
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane?
The IUPAC name of (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane (CID 173014982) is (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane.
What is the SMILES notation for (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane?
The canonical SMILES for (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane is CCOc1cccc([SiH2]C[SiH2]c2cccc(OCC)c2OCC)c1OCC.
What is the InChIKey of (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane?
The InChIKey is ZOLVIJBEFJURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O4Si2/c1-5-22-16-11-9-13-18(20(16)24-7-3)26-15-27-19-14-10-12-17(23-6-2)21(19)25-8-4/h9-14H,5-8,15,26-27H2,1-4H3.
What are the key properties of (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane?
(2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane has a molecular weight of 404.66 g/mol, XLogP of 1.95, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethoxyphenyl)-[(2,3-diethoxyphenyl)silylmethyl]silane is sourced from PubChem (CID 173014982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).