[3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane

C34H44O6Si3 — CID 90761727

IUPAC[3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane
SMILESCO[Si](Cc1cc(C[Si](OC)(OC)c2ccccc2)c(C)c(C[Si](OC)(OC)c2ccccc2)c1)(OC)c1ccccc1
InChIInChI=1S/C34H44O6Si3/c1-28-30(26-42(37-4,38-5)33-19-13-9-14-20-33)23-29(25-41(35-2,36-3)32-17-11-8-12-18-32)24-31(28)27-43(39-6,40-7)34-21-15-10-16-22-34/h8-24H,25-27H2,1-7H3
InChIKeyWIRDFJAHPPEOHV-UHFFFAOYSA-N
MW632.98 g/mol
LogP4.17
Rot. Bonds15

About [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane

[3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane (PubChem CID 90761727) has the molecular formula C34H44O6Si3 and a molecular weight of 632.98 g/mol. Its IUPAC name is [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane.

Molecular Properties

Compound Name[3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane
PubChem CID90761727
Molecular FormulaC34H44O6Si3
Molecular Weight632.98 g/mol
Exact Mass632.24
IUPAC Name[3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane
SMILESCO[Si](Cc1cc(C[Si](OC)(OC)c2ccccc2)c(C)c(C[Si](OC)(OC)c2ccccc2)c1)(OC)c1ccccc1
InChIInChI=1S/C34H44O6Si3/c1-28-30(26-42(37-4,38-5)33-19-13-9-14-20-33)23-29(25-41(35-2,36-3)32-17-11-8-12-18-32)24-31(28)27-43(39-6,40-7)34-21-15-10-16-22-34/h8-24H,25-27H2,1-7H3
InChIKeyWIRDFJAHPPEOHV-UHFFFAOYSA-N
XLogP4.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.98
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bromomethyl-dimethoxy-phenylsilane
CID 66970118
dimethoxy-phenyl-(2-trimethylsilylethyl)silane
CID 59357473
butyl-dimethoxy-phenylsilane
CID 66773516
[5-[dimethoxy(phenyl)silyl]-3,3-bis[2-[dimethoxy(phenyl)silyl]ethyl]pentyl]-dimethoxy-phenylsilane
CID 69429750
benzyl-hydroxy-methoxy-phenylsilane
CID 175272041
methoxy-phenyl-phenylmethoxy-propylsilane
CID 174912796
bromo-methoxy-methyl-phenylsilane
CID 140744784
methyl-[(3-methylphenyl)methyl]-diphenylsilane
CID 139831843
phenylmethoxysilane;trimethoxy(phenyl)silane
CID 173314465
(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane
CID 54198141
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane?
The IUPAC name of [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane (CID 90761727) is [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane.
What is the SMILES notation for [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane?
The canonical SMILES for [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane is CO[Si](Cc1cc(C[Si](OC)(OC)c2ccccc2)c(C)c(C[Si](OC)(OC)c2ccccc2)c1)(OC)c1ccccc1.
What is the InChIKey of [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane?
The InChIKey is WIRDFJAHPPEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44O6Si3/c1-28-30(26-42(37-4,38-5)33-19-13-9-14-20-33)23-29(25-41(35-2,36-3)32-17-11-8-12-18-32)24-31(28)27-43(39-6,40-7)34-21-15-10-16-22-34/h8-24H,25-27H2,1-7H3.
What are the key properties of [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane?
[3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane has a molecular weight of 632.98 g/mol, XLogP of 4.17, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[dimethoxy(phenyl)silyl]methyl]-2-methylphenyl]methyl-dimethoxy-phenylsilane is sourced from PubChem (CID 90761727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).