[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol

C52H75N3O3Si2 — CID 159894033

IUPAC[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol
SMILESCC(C)(C)[Si](OCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37N3OSi.C26H38O2Si/c1-26(2,3)31(24-18-12-10-13-19-24,25-20-14-11-15-21-25)30-23-17-9-7-5-4-6-8-16-22-28-29-27;1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h4-5,10-15,18-21H,6-9,16-17,22-23H2,1-3H3;4-5,10-15,18-21,27H,6-9,16-17,22-23H2,1-3H3/b2*5-4-
InChIKeyNVCQLJZFMMGLGC-KERYXKJGSA-N
MW846.36 g/mol
LogP12.22
Rot. Bonds25

About [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol

[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol (PubChem CID 159894033) has the molecular formula C52H75N3O3Si2 and a molecular weight of 846.36 g/mol. Its IUPAC name is [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol.

Molecular Properties

Compound Name[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol
PubChem CID159894033
Molecular FormulaC52H75N3O3Si2
Molecular Weight846.36 g/mol
Exact Mass845.53
IUPAC Name[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol
SMILESCC(C)(C)[Si](OCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37N3OSi.C26H38O2Si/c1-26(2,3)31(24-18-12-10-13-19-24,25-20-14-11-15-21-25)30-23-17-9-7-5-4-6-8-16-22-28-29-27;1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h4-5,10-15,18-21H,6-9,16-17,22-23H2,1-3H3;4-5,10-15,18-21,27H,6-9,16-17,22-23H2,1-3H3/b2*5-4-
InChIKeyNVCQLJZFMMGLGC-KERYXKJGSA-N
XLogP12.22
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.36
LogP ≤ 512.22
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

[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane;[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 159511744
[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane
CID 90132311
10-Azidodec-5-enoxy-tert-butyl-diphenylsilane
CID 123780813
Pentan-1-ol diphenyl-tert-butylsilyl ether
CID 131717831
4-Azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane
CID 157346991
[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
CID 158073685
[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 158270375
10-[Tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane
CID 158352565
[(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol
CID 158465466
8-[Tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane
CID 159013919
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-1-ol;tert-butyl-[(E)-6-isocyanohex-3-enoxy]-diphenylsilane
CID 160265040
[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
CID 161109843

Frequently Asked Questions

What is the IUPAC name of [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol?
The IUPAC name of [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol (CID 159894033) is [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol.
What is the SMILES notation for [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol?
The canonical SMILES for [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol is CC(C)(C)[Si](OCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol?
The InChIKey is NVCQLJZFMMGLGC-KERYXKJGSA-N. The full InChI is InChI=1S/C26H37N3OSi.C26H38O2Si/c1-26(2,3)31(24-18-12-10-13-19-24,25-20-14-11-15-21-25)30-23-17-9-7-5-4-6-8-16-22-28-29-27;1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h4-5,10-15,18-21H,6-9,16-17,22-23H2,1-3H3;4-5,10-15,18-21,27H,6-9,16-17,22-23H2,1-3H3/b2*5-4-.
What are the key properties of [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol?
[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol has a molecular weight of 846.36 g/mol, XLogP of 12.22, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane;(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-en-1-ol is sourced from PubChem (CID 159894033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).