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

C36H46O2Si2 — CID 154430427

IUPAC4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane
SMILESc1ccc(C(CCCO[SiH2]CCCC[SiH2]OCCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H46O2Si2/c1-5-17-31(18-6-1)35(32-19-7-2-8-20-32)25-15-27-37-39-29-13-14-30-40-38-28-16-26-36(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,17-24,35-36H,13-16,25-30,39-40H2
InChIKeyRPVAPABRXYBFPG-UHFFFAOYSA-N
MW566.93 g/mol
LogP8.03
Rot. Bonds19

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

4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane (PubChem CID 154430427) has the molecular formula C36H46O2Si2 and a molecular weight of 566.93 g/mol. Its IUPAC name is 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane.

Molecular Properties

Compound Name4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane
PubChem CID154430427
Molecular FormulaC36H46O2Si2
Molecular Weight566.93 g/mol
Exact Mass566.30
IUPAC Name4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane
SMILESc1ccc(C(CCCO[SiH2]CCCC[SiH2]OCCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H46O2Si2/c1-5-17-31(18-6-1)35(32-19-7-2-8-20-32)25-15-27-37-39-29-13-14-30-40-38-28-16-26-36(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,17-24,35-36H,13-16,25-30,39-40H2
InChIKeyRPVAPABRXYBFPG-UHFFFAOYSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.93
LogP ≤ 58.03
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)butyl]silane?
The IUPAC name of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane (CID 154430427) is 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane.
What is the SMILES notation for 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane?
The canonical SMILES for 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane is c1ccc(C(CCCO[SiH2]CCCC[SiH2]OCCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane?
The InChIKey is RPVAPABRXYBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46O2Si2/c1-5-17-31(18-6-1)35(32-19-7-2-8-20-32)25-15-27-37-39-29-13-14-30-40-38-28-16-26-36(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,17-24,35-36H,13-16,25-30,39-40H2.
What are the key properties of 4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane?
4,4-diphenylbutoxy-[4-(4,4-diphenylbutoxysilyl)butyl]silane has a molecular weight of 566.93 g/mol, XLogP of 8.03, 19 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)butyl]silane is sourced from PubChem (CID 154430427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).