trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane

C20H35Cl3O3Si2 — CID 68614661

IUPACtrichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane
SMILESCC(C)(C)O[Si](Cc1ccc(C[Si](Cl)(Cl)Cl)cc1)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C20H35Cl3O3Si2/c1-18(2,3)24-28(25-19(4,5)6,26-20(7,8)9)15-17-12-10-16(11-13-17)14-27(21,22)23/h10-13H,14-15H2,1-9H3
InChIKeyAFECKIFMVWNWMN-UHFFFAOYSA-N
MW486.03 g/mol
LogP6.89
Rot. Bonds7

About trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane

trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane (PubChem CID 68614661) has the molecular formula C20H35Cl3O3Si2 and a molecular weight of 486.03 g/mol. Its IUPAC name is trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane.

Molecular Properties

Compound Nametrichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane
PubChem CID68614661
Molecular FormulaC20H35Cl3O3Si2
Molecular Weight486.03 g/mol
Exact Mass484.12
IUPAC Nametrichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane
SMILESCC(C)(C)O[Si](Cc1ccc(C[Si](Cl)(Cl)Cl)cc1)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C20H35Cl3O3Si2/c1-18(2,3)24-28(25-19(4,5)6,26-20(7,8)9)15-17-12-10-16(11-13-17)14-27(21,22)23/h10-13H,14-15H2,1-9H3
InChIKeyAFECKIFMVWNWMN-UHFFFAOYSA-N
XLogP6.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.03
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane?
The IUPAC name of trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane (CID 68614661) is trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane.
What is the SMILES notation for trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane?
The canonical SMILES for trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane is CC(C)(C)O[Si](Cc1ccc(C[Si](Cl)(Cl)Cl)cc1)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane?
The InChIKey is AFECKIFMVWNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35Cl3O3Si2/c1-18(2,3)24-28(25-19(4,5)6,26-20(7,8)9)15-17-12-10-16(11-13-17)14-27(21,22)23/h10-13H,14-15H2,1-9H3.
What are the key properties of trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane?
trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane has a molecular weight of 486.03 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[[4-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]phenyl]methyl]silane is sourced from PubChem (CID 68614661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).