[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane

C33H35N3O4Si — CID 11664131

IUPAC[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane
SMILESCc1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc([C@H](COCc2ccccc2)N=[N+]=[N-])c2c1OCO2
InChIInChI=1S/C33H35N3O4Si/c1-24-30(40-41(33(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27)20-28(32-31(24)38-23-39-32)29(35-36-34)22-37-21-25-14-8-5-9-15-25/h5-20,29H,21-23H2,1-4H3/t29-/m0/s1
InChIKeyOPESKMWOGPIZDN-LJAQVGFWSA-N
MW565.75 g/mol
LogP7.23
Rot. Bonds10

About [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane

[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 11664131) has the molecular formula C33H35N3O4Si and a molecular weight of 565.75 g/mol. Its IUPAC name is [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane
PubChem CID11664131
Molecular FormulaC33H35N3O4Si
Molecular Weight565.75 g/mol
Exact Mass565.24
IUPAC Name[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane
SMILESCc1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc([C@H](COCc2ccccc2)N=[N+]=[N-])c2c1OCO2
InChIInChI=1S/C33H35N3O4Si/c1-24-30(40-41(33(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27)20-28(32-31(24)38-23-39-32)29(35-36-34)22-37-21-25-14-8-5-9-15-25/h5-20,29H,21-23H2,1-4H3/t29-/m0/s1
InChIKeyOPESKMWOGPIZDN-LJAQVGFWSA-N
XLogP7.23
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.75
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol
CID 58025120
[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
CID 101040416
2,2-diethoxy-N-[(1R)-1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)-2-phenylmethoxyethyl]ethanamine
CID 11316395
[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
CID 10552846
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
[(3R,4R,5R)-2-acetyloxy-5-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 101108425
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237

Frequently Asked Questions

What is the IUPAC name of [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane (CID 11664131) is [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane is Cc1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc([C@H](COCc2ccccc2)N=[N+]=[N-])c2c1OCO2.
What is the InChIKey of [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is OPESKMWOGPIZDN-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H35N3O4Si/c1-24-30(40-41(33(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27)20-28(32-31(24)38-23-39-32)29(35-36-34)22-37-21-25-14-8-5-9-15-25/h5-20,29H,21-23H2,1-4H3/t29-/m0/s1.
What are the key properties of [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane?
[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 565.75 g/mol, XLogP of 7.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11664131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).