[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane

C20H35N3O3Si — CID 10883732

IUPAC[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane
SMILESCCOC(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C20H35N3O3Si/c1-8-24-16(2)26-19(15-25-27(6,7)20(3,4)5)18(22-23-21)14-17-12-10-9-11-13-17/h9-13,16,18-19H,8,14-15H2,1-7H3/t16?,18-,19-/m0/s1
InChIKeyABLSIRDJISNNQV-MSYFUGIWSA-N
MW393.60 g/mol
LogP5.70
Rot. Bonds11

About [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane

[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 10883732) has the molecular formula C20H35N3O3Si and a molecular weight of 393.60 g/mol. Its IUPAC name is [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane
PubChem CID10883732
Molecular FormulaC20H35N3O3Si
Molecular Weight393.60 g/mol
Exact Mass393.24
IUPAC Name[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane
SMILESCCOC(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C20H35N3O3Si/c1-8-24-16(2)26-19(15-25-27(6,7)20(3,4)5)18(22-23-21)14-17-12-10-9-11-13-17/h9-13,16,18-19H,8,14-15H2,1-7H3/t16?,18-,19-/m0/s1
InChIKeyABLSIRDJISNNQV-MSYFUGIWSA-N
XLogP5.70
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.60
LogP ≤ 55.70
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
[(2R,3S,4R)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)-2-methylsulfonyloxypentan-3-yl] acetate
CID 10983934
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2-azido-3,3-difluoropropyl)benzene
CID 151138482
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
CID 90032368
(E,2S,5R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-N-tritylhex-3-en-2-amine
CID 24949039

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane (CID 10883732) is [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane is CCOC(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)N=[N+]=[N-].
What is the InChIKey of [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is ABLSIRDJISNNQV-MSYFUGIWSA-N. The full InChI is InChI=1S/C20H35N3O3Si/c1-8-24-16(2)26-19(15-25-27(6,7)20(3,4)5)18(22-23-21)14-17-12-10-9-11-13-17/h9-13,16,18-19H,8,14-15H2,1-7H3/t16?,18-,19-/m0/s1.
What are the key properties of [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane?
[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 393.60 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10883732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).