[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane

C23H31N3O3Si — CID 102421854

IUPAC[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])O1
InChIInChI=1S/C23H31N3O3Si/c1-22(2,3)30(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(25-26-24)21-17-27-23(4,5)29-21/h6-15,20-21H,16-17H2,1-5H3/t20-,21-/m1/s1
InChIKeyCXFCSYSBAJOVPU-NHCUHLMSSA-N
MW425.61 g/mol
LogP4.39
Rot. Bonds7

About [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane

[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane (PubChem CID 102421854) has the molecular formula C23H31N3O3Si and a molecular weight of 425.61 g/mol. Its IUPAC name is [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
PubChem CID102421854
Molecular FormulaC23H31N3O3Si
Molecular Weight425.61 g/mol
Exact Mass425.21
IUPAC Name[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])O1
InChIInChI=1S/C23H31N3O3Si/c1-22(2,3)30(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(25-26-24)21-17-27-23(4,5)29-21/h6-15,20-21H,16-17H2,1-5H3/t20-,21-/m1/s1
InChIKeyCXFCSYSBAJOVPU-NHCUHLMSSA-N
XLogP4.39
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(2R)-2-azido-2-[(2R)-oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane
CID 11783542
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol
CID 57266863
[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
CID 59055125
1,5-anhydro-4-azido-6-O-(tert-butyl(diphenyl)silyl)-2,3,4-trideoxy-D-erythro-hexitol
CID 86709003
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 152216892
[(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-yl] prop-2-enyl carbonate
CID 173563872
(2S,3R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10002747

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane (CID 102421854) is [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane is CC1(C)OC[C@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])O1.
What is the InChIKey of [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The InChIKey is CXFCSYSBAJOVPU-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H31N3O3Si/c1-22(2,3)30(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(25-26-24)21-17-27-23(4,5)29-21/h6-15,20-21H,16-17H2,1-5H3/t20-,21-/m1/s1.
What are the key properties of [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane has a molecular weight of 425.61 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 102421854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).