[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane

C21H27N3OSi — CID 10021768

IUPAC[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H]1CN=[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/t17-,18-/m0/s1
InChIKeyBSCOWIWKEZGIPB-ROUUACIJSA-N
MW365.55 g/mol
LogP4.51
Rot. Bonds7

About [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane

[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10021768) has the molecular formula C21H27N3OSi and a molecular weight of 365.55 g/mol. Its IUPAC name is [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
PubChem CID10021768
Molecular FormulaC21H27N3OSi
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H]1CN=[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/t17-,18-/m0/s1
InChIKeyBSCOWIWKEZGIPB-ROUUACIJSA-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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Related Compounds

2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
9-azidononoxy-tert-butyl-diphenylsilane
CID 155804238
11-azidoundecoxy-tert-butyl-diphenylsilane
CID 138986552
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
tert-butyl 5-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pentanoate
CID 166524601
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
CID 11133052

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane (CID 10021768) is [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@H]1CN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BSCOWIWKEZGIPB-ROUUACIJSA-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/t17-,18-/m0/s1.
What are the key properties of [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane?
[(1R,2R)-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 [(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10021768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).