(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane

C38H42O2Si2 — CID 87143933

IUPAC(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
SMILESCC(C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](OC(C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H42O2Si2/c1-37(2,3)39-41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)35-27-29-36(30-28-35)42(40-38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-30H,1-6H3
InChIKeyABJUTWDINQJTEZ-UHFFFAOYSA-N
MW586.92 g/mol
LogP5.25
Rot. Bonds8

About (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane

(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane (PubChem CID 87143933) has the molecular formula C38H42O2Si2 and a molecular weight of 586.92 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
PubChem CID87143933
Molecular FormulaC38H42O2Si2
Molecular Weight586.92 g/mol
Exact Mass586.27
IUPAC Name(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
SMILESCC(C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](OC(C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H42O2Si2/c1-37(2,3)39-41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)35-27-29-36(30-28-35)42(40-38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-30H,1-6H3
InChIKeyABJUTWDINQJTEZ-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.92
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane?
The IUPAC name of (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane (CID 87143933) is (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane?
The canonical SMILES for (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane is CC(C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](OC(C)(C)C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane?
The InChIKey is ABJUTWDINQJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O2Si2/c1-37(2,3)39-41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)35-27-29-36(30-28-35)42(40-38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-30H,1-6H3.
What are the key properties of (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane?
(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane has a molecular weight of 586.92 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane is sourced from PubChem (CID 87143933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).