11-azidoundec-6-enoxy-tert-butyl-diphenylsilane

C27H39N3OSi — CID 123300702

IUPAC11-azidoundec-6-enoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCC=CCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39N3OSi/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/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3
InChIKeyNTXXPWGSLSNDBN-UHFFFAOYSA-N
MW449.72 g/mol
LogP7.16
Rot. Bonds14

About 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane

11-azidoundec-6-enoxy-tert-butyl-diphenylsilane (PubChem CID 123300702) has the molecular formula C27H39N3OSi and a molecular weight of 449.72 g/mol. Its IUPAC name is 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name11-azidoundec-6-enoxy-tert-butyl-diphenylsilane
PubChem CID123300702
Molecular FormulaC27H39N3OSi
Molecular Weight449.72 g/mol
Exact Mass449.29
IUPAC Name11-azidoundec-6-enoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCC=CCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39N3OSi/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/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3
InChIKeyNTXXPWGSLSNDBN-UHFFFAOYSA-N
XLogP7.16
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.72
LogP ≤ 57.16
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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Related Compounds

tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine
CID 10042117
6-Amino-1-(t-butyldiphenylsilyloxy)hexane
CID 13009541
[3-(Azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 21044037
[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 58682743
[(1R,3S,4S)-4-azido-3-fluorocyclohexyl]oxy-tert-butyl-diphenylsilane
CID 123446689
[(1R,3R,4S)-4-azido-3-fluorocyclohexyl]oxy-tert-butyl-diphenylsilane
CID 124022681
(4-Azido-3-fluorocyclohexyl)oxy-tert-butyl-diphenylsilane
CID 173573617
Tert-butyl-hept-6-enoxy-diphenylsilane
CID 10784231
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
3-Azidobutoxy-tert-butyl-diphenylsilane
CID 11210404
(2-Azido-2-methylpropoxy)-tert-butyl-diphenylsilane
CID 24766113

Frequently Asked Questions

What is the IUPAC name of 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane?
The IUPAC name of 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane (CID 123300702) is 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCCCC=CCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane?
The InChIKey is NTXXPWGSLSNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3OSi/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/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3.
What are the key properties of 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane?
11-azidoundec-6-enoxy-tert-butyl-diphenylsilane has a molecular weight of 449.72 g/mol, XLogP of 7.16, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azidoundec-6-enoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 123300702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).