bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane

C40H54O9Si2 — CID 123507229

IUPACbis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane
SMILESCCOc1cc(OCC)cc([SiH](O[SiH](c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c1
InChIInChI=1S/C40H54O9Si2/c1-9-41-29-17-30(42-10-2)22-37(21-29)50(38-23-31(43-11-3)18-32(24-38)44-12-4)49-51(39-25-33(45-13-5)19-34(26-39)46-14-6)40-27-35(47-15-7)20-36(28-40)48-16-8/h17-28,50-51H,9-16H2,1-8H3
InChIKeyVBCRPVGRDDPSPG-UHFFFAOYSA-N
MW735.03 g/mol
LogP5.27
Rot. Bonds22

About bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane

bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane (PubChem CID 123507229) has the molecular formula C40H54O9Si2 and a molecular weight of 735.03 g/mol. Its IUPAC name is bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane.

Molecular Properties

Compound Namebis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane
PubChem CID123507229
Molecular FormulaC40H54O9Si2
Molecular Weight735.03 g/mol
Exact Mass734.33
IUPAC Namebis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane
SMILESCCOc1cc(OCC)cc([SiH](O[SiH](c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c1
InChIInChI=1S/C40H54O9Si2/c1-9-41-29-17-30(42-10-2)22-37(21-29)50(38-23-31(43-11-3)18-32(24-38)44-12-4)49-51(39-25-33(45-13-5)19-34(26-39)46-14-6)40-27-35(47-15-7)20-36(28-40)48-16-8/h17-28,50-51H,9-16H2,1-8H3
InChIKeyVBCRPVGRDDPSPG-UHFFFAOYSA-N
XLogP5.27
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.03
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
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CID 70065234
2,6-dibromo-4-ethoxyaniline
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2-chloro-5-ethoxy-1,3-difluorobenzene
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CID 90889125
CID 90889125
3-ethoxy-5-methylaniline
CID 67863452
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CID 14985008

Frequently Asked Questions

What is the IUPAC name of bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane?
The IUPAC name of bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane (CID 123507229) is bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane.
What is the SMILES notation for bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane?
The canonical SMILES for bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane is CCOc1cc(OCC)cc([SiH](O[SiH](c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c1.
What is the InChIKey of bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane?
The InChIKey is VBCRPVGRDDPSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54O9Si2/c1-9-41-29-17-30(42-10-2)22-37(21-29)50(38-23-31(43-11-3)18-32(24-38)44-12-4)49-51(39-25-33(45-13-5)19-34(26-39)46-14-6)40-27-35(47-15-7)20-36(28-40)48-16-8/h17-28,50-51H,9-16H2,1-8H3.
What are the key properties of bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane?
bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane has a molecular weight of 735.03 g/mol, XLogP of 5.27, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane is sourced from PubChem (CID 123507229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).