[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine

C54H80N4O2Si2 — CID 161109843

IUPAC[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39N3OSi.C27H41NOSi/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3;4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3/b2*5-4-
InChIKeyUJNVEOMJLHQTJC-KERYXKJGSA-N
MW873.43 g/mol
LogP12.97
Rot. Bonds27

About [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine

[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine (PubChem CID 161109843) has the molecular formula C54H80N4O2Si2 and a molecular weight of 873.43 g/mol. Its IUPAC name is [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine.

Molecular Properties

Compound Name[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
PubChem CID161109843
Molecular FormulaC54H80N4O2Si2
Molecular Weight873.43 g/mol
Exact Mass872.58
IUPAC Name[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39N3OSi.C27H41NOSi/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3;4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3/b2*5-4-
InChIKeyUJNVEOMJLHQTJC-KERYXKJGSA-N
XLogP12.97
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.43
LogP ≤ 512.97
H-Bond Donors ≤ 51
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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Related Compounds

6-Amino-1-(t-butyldiphenylsilyloxy)hexane
CID 13009541
4-[[3-Aminopropyl(diphenyl)silyl]methoxy-diphenylsilyl]butan-1-amine
CID 20608300
Bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
CID 21739278
Bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
CID 21739280
Bis[1-aminobutyl(diphenyl)silyl] dimethyl silicate
CID 21744020
2-(t-Butyldiphenylsilyloxy)-1-(t-butyldiphenylsilyloxymethyl)ethylamine
CID 22242907
4-[[[4-Aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine
CID 69455850
3-[[[3-Aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
CID 88503351
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
CID 90098925
11-[Tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
CID 123279383
Bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate
CID 139926252
(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine
CID 140800499

Frequently Asked Questions

What is the IUPAC name of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The IUPAC name of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine (CID 161109843) is [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine.
What is the SMILES notation for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The canonical SMILES for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine is CC(C)(C)[Si](OCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The InChIKey is UJNVEOMJLHQTJC-KERYXKJGSA-N. The full InChI is InChI=1S/C27H39N3OSi.C27H41NOSi/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3;4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3/b2*5-4-.
What are the key properties of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine has a molecular weight of 873.43 g/mol, XLogP of 12.97, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine is sourced from PubChem (CID 161109843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).