methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate

C11H21N3O3Si — CID 132540381

IUPACmethyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C(=O)OC
InChIInChI=1S/C11H21N3O3Si/c1-8(9(13-14-12)10(15)16-5)17-18(6,7)11(2,3)4/h9H,1H2,2-7H3
InChIKeyPRNMEVMNUKMBQN-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.37
Rot. Bonds5

About methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate

methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate (PubChem CID 132540381) has the molecular formula C11H21N3O3Si and a molecular weight of 271.39 g/mol. Its IUPAC name is methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate.

Molecular Properties

Compound Namemethyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
PubChem CID132540381
Molecular FormulaC11H21N3O3Si
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C(=O)OC
InChIInChI=1S/C11H21N3O3Si/c1-8(9(13-14-12)10(15)16-5)17-18(6,7)11(2,3)4/h9H,1H2,2-7H3
InChIKeyPRNMEVMNUKMBQN-UHFFFAOYSA-N
XLogP3.37
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-azido-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid
CID 57343420
(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide
CID 10712632
dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate
CID 14249484
methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate
CID 11148952
methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate
CID 101372629
tert-butyl (2S,4S,5S)-5-acetamido-2-azido-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 14805099
(2S)-2-azido-3,3-dimethylbutanamide
CID 151787288
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
CID 91752573
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429

Frequently Asked Questions

What is the IUPAC name of methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
The IUPAC name of methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate (CID 132540381) is methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate.
What is the SMILES notation for methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
The canonical SMILES for methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate is C=C(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
The InChIKey is PRNMEVMNUKMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3Si/c1-8(9(13-14-12)10(15)16-5)17-18(6,7)11(2,3)4/h9H,1H2,2-7H3.
What are the key properties of methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate has a molecular weight of 271.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate is sourced from PubChem (CID 132540381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).