methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate

C16H24N2O5Si — CID 102427386

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate
SMILESCOC(=O)C(=[N+]=[N-])C(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccoc1
InChIInChI=1S/C16H24N2O5Si/c1-16(2,3)24(5,6)23-13(11-7-8-22-10-11)9-12(19)14(18-17)15(20)21-4/h7-8,10,13H,9H2,1-6H3
InChIKeyFKCSMEWDRMWILQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.15
Rot. Bonds7

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate (PubChem CID 102427386) has the molecular formula C16H24N2O5Si and a molecular weight of 352.46 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate
PubChem CID102427386
Molecular FormulaC16H24N2O5Si
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate
SMILESCOC(=O)C(=[N+]=[N-])C(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccoc1
InChIInChI=1S/C16H24N2O5Si/c1-16(2,3)24(5,6)23-13(11-7-8-22-10-11)9-12(19)14(18-17)15(20)21-4/h7-8,10,13H,9H2,1-6H3
InChIKeyFKCSMEWDRMWILQ-UHFFFAOYSA-N
XLogP3.15
TPSA102.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate
CID 102095887
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
CID 85160727
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-7-(4-nitrophenyl)-3-oxohept-6-enoate
CID 102173385
3-(furan-3-yl)-N-methoxy-3-trimethylsilyloxypropanehydrazide
CID 11086905
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate
CID 101374785
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
methyl (3S)-3-amino-3-(furan-3-yl)-2,2-dimethylpropanoate
CID 171250455
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
4-diazo-5-methoxy-3,5-dioxopentanoic acid
CID 137256579
methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate
CID 11739619
methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate
CID 58974298

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate (CID 102427386) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate is COC(=O)C(=[N+]=[N-])C(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccoc1.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate?
The InChIKey is FKCSMEWDRMWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5Si/c1-16(2,3)24(5,6)23-13(11-7-8-22-10-11)9-12(19)14(18-17)15(20)21-4/h7-8,10,13H,9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate has a molecular weight of 352.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate is sourced from PubChem (CID 102427386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).