[(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane

C24H33N3OSi — CID 140824527

IUPAC[(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane
SMILESCC[C@@H]1C[C@@H](N=[N+]=[N-])CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33N3OSi/c1-5-19-18-20(26-27-25)16-17-23(19)28-29(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23H,5,16-18H2,1-4H3/t19-,20+,23-/m1/s1
InChIKeyBZXWXBWRIQEHAG-ZRCGQRJVSA-N
MW407.63 g/mol
LogP5.82
Rot. Bonds6

About [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane

[(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane (PubChem CID 140824527) has the molecular formula C24H33N3OSi and a molecular weight of 407.63 g/mol. Its IUPAC name is [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane
PubChem CID140824527
Molecular FormulaC24H33N3OSi
Molecular Weight407.63 g/mol
Exact Mass407.24
IUPAC Name[(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane
SMILESCC[C@@H]1C[C@@H](N=[N+]=[N-])CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33N3OSi/c1-5-19-18-20(26-27-25)16-17-23(19)28-29(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23H,5,16-18H2,1-4H3/t19-,20+,23-/m1/s1
InChIKeyBZXWXBWRIQEHAG-ZRCGQRJVSA-N
XLogP5.82
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.63
LogP ≤ 55.82
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 [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane (CID 140824527) is [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane is CC[C@@H]1C[C@@H](N=[N+]=[N-])CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane?
The InChIKey is BZXWXBWRIQEHAG-ZRCGQRJVSA-N. The full InChI is InChI=1S/C24H33N3OSi/c1-5-19-18-20(26-27-25)16-17-23(19)28-29(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23H,5,16-18H2,1-4H3/t19-,20+,23-/m1/s1.
What are the key properties of [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane?
[(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane has a molecular weight of 407.63 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-4-azido-2-ethylcyclohexyl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 140824527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).