benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate

C17H24N2O3Si — CID 54368050

IUPACbenzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O3Si/c1-13(22-23(5,6)17(2,3)4)15(19-18)16(20)21-12-14-10-8-7-9-11-14/h7-11H,1,12H2,2-6H3
InChIKeyURDYXNVOPLFIKA-UHFFFAOYSA-N
MW332.48 g/mol
LogP3.94
Rot. Bonds6

About benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate

benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate (PubChem CID 54368050) has the molecular formula C17H24N2O3Si and a molecular weight of 332.48 g/mol. Its IUPAC name is benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate.

Molecular Properties

Compound Namebenzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
PubChem CID54368050
Molecular FormulaC17H24N2O3Si
Molecular Weight332.48 g/mol
Exact Mass332.16
IUPAC Namebenzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O3Si/c1-13(22-23(5,6)17(2,3)4)15(19-18)16(20)21-12-14-10-8-7-9-11-14/h7-11H,1,12H2,2-6H3
InChIKeyURDYXNVOPLFIKA-UHFFFAOYSA-N
XLogP3.94
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
The IUPAC name of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate (CID 54368050) is benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate.
What is the SMILES notation for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
The canonical SMILES for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate is C=C(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
The InChIKey is URDYXNVOPLFIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3Si/c1-13(22-23(5,6)17(2,3)4)15(19-18)16(20)21-12-14-10-8-7-9-11-14/h7-11H,1,12H2,2-6H3.
What are the key properties of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate has a molecular weight of 332.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate is sourced from PubChem (CID 54368050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).