ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate

C12H16N2O4Si — CID 164665475

IUPACethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate
SMILESCCOC(=O)C(=[N+]=[N-])C(=O)CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C12H16N2O4Si/c1-5-18-12(17)11(14-13)10(16)8-9(15)6-7-19(2,3)4/h5,8H2,1-4H3
InChIKeyTWGPQXBRNXYAKV-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.63
Rot. Bonds5

About ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate

ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate (PubChem CID 164665475) has the molecular formula C12H16N2O4Si and a molecular weight of 280.36 g/mol. Its IUPAC name is ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate.

Molecular Properties

Compound Nameethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate
PubChem CID164665475
Molecular FormulaC12H16N2O4Si
Molecular Weight280.36 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate
SMILESCCOC(=O)C(=[N+]=[N-])C(=O)CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C12H16N2O4Si/c1-5-18-12(17)11(14-13)10(16)8-9(15)6-7-19(2,3)4/h5,8H2,1-4H3
InChIKeyTWGPQXBRNXYAKV-UHFFFAOYSA-N
XLogP0.63
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-(4-chlorophenyl)-2-diazo-3,5-dioxohept-6-ynoate
CID 164665336
ethyl 4-chloro-2-diazo-3-oxobutanoate
CID 71421010
ethyl 2-diazo-3-(methoxyamino)-3-oxopropanoate
CID 136646399
ethyl 2-diazo-3-oxononanoate
CID 137280982
1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
CID 102431348
diethyl 2-diazo-3-(dinitromethylidene)butanedioate
CID 71380132
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate
CID 156750246
ethyl 2-diazo-4,4,6,6-tetramethyl-3-oxoheptanoate
CID 136635269
1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
CID 73084435
ethyl (E)-3-(4-methylphenyl)-2-(2-trimethylsilylethynyl)but-2-enoate
CID 11536748
4-diazo-5-methoxy-3,5-dioxopentanoic acid
CID 137256579
prop-2-enyl 2-diazo-4-(methylamino)-3-oxobutanoate
CID 170069841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate?
The IUPAC name of ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate (CID 164665475) is ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate.
What is the SMILES notation for ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate?
The canonical SMILES for ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate is CCOC(=O)C(=[N+]=[N-])C(=O)CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate?
The InChIKey is TWGPQXBRNXYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4Si/c1-5-18-12(17)11(14-13)10(16)8-9(15)6-7-19(2,3)4/h5,8H2,1-4H3.
What are the key properties of ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate?
ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate has a molecular weight of 280.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate is sourced from PubChem (CID 164665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).