4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane

C38H42O2Si2 — CID 154430428

IUPAC4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane
SMILESc1ccc(C(CCCO[SiH2]c2ccc([SiH2]OCCCC(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H42O2Si2/c1-5-15-31(16-6-1)37(32-17-7-2-8-18-32)23-13-29-39-41-35-25-27-36(28-26-35)42-40-30-14-24-38(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-22,25-28,37-38H,13-14,23-24,29-30,41-42H2
InChIKeyXZYNLLGNZKYDHN-UHFFFAOYSA-N
MW586.92 g/mol
LogP6.36
Rot. Bonds16

About 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane

4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane (PubChem CID 154430428) has the molecular formula C38H42O2Si2 and a molecular weight of 586.92 g/mol. Its IUPAC name is 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane.

Molecular Properties

Compound Name4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane
PubChem CID154430428
Molecular FormulaC38H42O2Si2
Molecular Weight586.92 g/mol
Exact Mass586.27
IUPAC Name4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane
SMILESc1ccc(C(CCCO[SiH2]c2ccc([SiH2]OCCCC(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H42O2Si2/c1-5-15-31(16-6-1)37(32-17-7-2-8-18-32)23-13-29-39-41-35-25-27-36(28-26-35)42-40-30-14-24-38(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-22,25-28,37-38H,13-14,23-24,29-30,41-42H2
InChIKeyXZYNLLGNZKYDHN-UHFFFAOYSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.92
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane?
The IUPAC name of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane (CID 154430428) is 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane.
What is the SMILES notation for 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane?
The canonical SMILES for 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane is c1ccc(C(CCCO[SiH2]c2ccc([SiH2]OCCCC(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane?
The InChIKey is XZYNLLGNZKYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O2Si2/c1-5-15-31(16-6-1)37(32-17-7-2-8-18-32)23-13-29-39-41-35-25-27-36(28-26-35)42-40-30-14-24-38(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-22,25-28,37-38H,13-14,23-24,29-30,41-42H2.
What are the key properties of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane?
4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane has a molecular weight of 586.92 g/mol, XLogP of 6.36, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)phenyl]silane is sourced from PubChem (CID 154430428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).