[2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane

C21H27N3OSi — CID 85095019

IUPAC[2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC1CN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3OSi/c1-21(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(18)15-23-24-22/h4-13,17-18H,14-16H2,1-3H3
InChIKeyBSCOWIWKEZGIPB-UHFFFAOYSA-N
MW365.55 g/mol
LogP4.51
Rot. Bonds7

About [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane

[2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 85095019) has the molecular formula C21H27N3OSi and a molecular weight of 365.55 g/mol. Its IUPAC name is [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
PubChem CID85095019
Molecular FormulaC21H27N3OSi
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name[2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC1CN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3OSi/c1-21(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(18)15-23-24-22/h4-13,17-18H,14-16H2,1-3H3
InChIKeyBSCOWIWKEZGIPB-UHFFFAOYSA-N
XLogP4.51
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane (CID 85095019) is [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC1CC1CN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BSCOWIWKEZGIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OSi/c1-21(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(18)15-23-24-22/h4-13,17-18H,14-16H2,1-3H3.
What are the key properties of [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
[2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 365.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 85095019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).