[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane

C15H25N3OSi — CID 154709006

IUPAC[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C15H25N3OSi/c1-15(2,3)20(4,5)19-12-14(17-18-16)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeySQAHAPJFMLTVIR-AWEZNQCLSA-N
MW291.47 g/mol
LogP4.93
Rot. Bonds6

About [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane

[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 154709006) has the molecular formula C15H25N3OSi and a molecular weight of 291.47 g/mol. Its IUPAC name is [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
PubChem CID154709006
Molecular FormulaC15H25N3OSi
Molecular Weight291.47 g/mol
Exact Mass291.18
IUPAC Name[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C15H25N3OSi/c1-15(2,3)20(4,5)19-12-14(17-18-16)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeySQAHAPJFMLTVIR-AWEZNQCLSA-N
XLogP4.93
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.93
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-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane
CID 10883732
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
[(2S)-2-azido-3-iodopropyl]benzene
CID 102473029
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
CID 86287443
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane (CID 154709006) is [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H](Cc1ccccc1)N=[N+]=[N-].
What is the InChIKey of [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is SQAHAPJFMLTVIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3OSi/c1-15(2,3)20(4,5)19-12-14(17-18-16)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1.
What are the key properties of [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane?
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 291.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 154709006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).