4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane

C40H52N6O2Si2 — CID 157346991

IUPAC4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane
SMILESCC(C)(CC(C)(C)[Si](OCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1)[Si](OCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H52N6O2Si2/c1-39(2,49(35-22-10-5-11-23-35,36-24-12-6-13-25-36)47-32-20-9-18-30-43-45-41)34-40(3,4)50(37-26-14-7-15-27-37,38-28-16-8-17-29-38)48-33-21-19-31-44-46-42/h5-8,10-17,22-29H,9,18-21,30-34H2,1-4H3
InChIKeyBXGUIFGYWRDWJP-UHFFFAOYSA-N
MW705.07 g/mol
LogP9.06
Rot. Bonds21

About 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane

4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane (PubChem CID 157346991) has the molecular formula C40H52N6O2Si2 and a molecular weight of 705.07 g/mol. Its IUPAC name is 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane.

Molecular Properties

Compound Name4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane
PubChem CID157346991
Molecular FormulaC40H52N6O2Si2
Molecular Weight705.07 g/mol
Exact Mass704.37
IUPAC Name4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane
SMILESCC(C)(CC(C)(C)[Si](OCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1)[Si](OCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H52N6O2Si2/c1-39(2,49(35-22-10-5-11-23-35,36-24-12-6-13-25-36)47-32-20-9-18-30-43-45-41)34-40(3,4)50(37-26-14-7-15-27-37,38-28-16-8-17-29-38)48-33-21-19-31-44-46-42/h5-8,10-17,22-29H,9,18-21,30-34H2,1-4H3
InChIKeyBXGUIFGYWRDWJP-UHFFFAOYSA-N
XLogP9.06
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.07
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane?
The IUPAC name of 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane (CID 157346991) is 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane.
What is the SMILES notation for 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane?
The canonical SMILES for 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane is CC(C)(CC(C)(C)[Si](OCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1)[Si](OCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane?
The InChIKey is BXGUIFGYWRDWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N6O2Si2/c1-39(2,49(35-22-10-5-11-23-35,36-24-12-6-13-25-36)47-32-20-9-18-30-43-45-41)34-40(3,4)50(37-26-14-7-15-27-37,38-28-16-8-17-29-38)48-33-21-19-31-44-46-42/h5-8,10-17,22-29H,9,18-21,30-34H2,1-4H3.
What are the key properties of 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane?
4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane has a molecular weight of 705.07 g/mol, XLogP of 9.06, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane is sourced from PubChem (CID 157346991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).