[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane

C28H41N3OSi — CID 90099286

IUPAC[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H41N3OSi/c1-28(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-4-6-8-10-18-24-30-31-29/h4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3/b6-4-
InChIKeyBLUZDWIMLMBJQY-XQRVVYSFSA-N
MW463.74 g/mol
LogP7.55
Rot. Bonds15

About [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane

[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane (PubChem CID 90099286) has the molecular formula C28H41N3OSi and a molecular weight of 463.74 g/mol. Its IUPAC name is [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane
PubChem CID90099286
Molecular FormulaC28H41N3OSi
Molecular Weight463.74 g/mol
Exact Mass463.30
IUPAC Name[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H41N3OSi/c1-28(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-4-6-8-10-18-24-30-31-29/h4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3/b6-4-
InChIKeyBLUZDWIMLMBJQY-XQRVVYSFSA-N
XLogP7.55
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.74
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane (CID 90099286) is [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is BLUZDWIMLMBJQY-XQRVVYSFSA-N. The full InChI is InChI=1S/C28H41N3OSi/c1-28(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-4-6-8-10-18-24-30-31-29/h4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3/b6-4-.
What are the key properties of [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane?
[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 463.74 g/mol, XLogP of 7.55, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 90099286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).