dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate

C24H36N2O7Si — CID 155931202

IUPACdimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate
SMILESCOC(=O)C(=[N+]=[N-])[C@@](CCC(=O)CCOCc1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C24H36N2O7Si/c1-23(2,3)34(6,7)33-24(22(29)31-5,20(26-25)21(28)30-4)15-13-19(27)14-16-32-17-18-11-9-8-10-12-18/h8-12H,13-17H2,1-7H3/t24-/m1/s1
InChIKeyARCUCVFRQSMOIZ-XMMPIXPASA-N
MW492.65 g/mol
LogP3.72
Rot. Bonds13

About dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate

dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate (PubChem CID 155931202) has the molecular formula C24H36N2O7Si and a molecular weight of 492.65 g/mol. Its IUPAC name is dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate
PubChem CID155931202
Molecular FormulaC24H36N2O7Si
Molecular Weight492.65 g/mol
Exact Mass492.23
IUPAC Namedimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate
SMILESCOC(=O)C(=[N+]=[N-])[C@@](CCC(=O)CCOCc1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C24H36N2O7Si/c1-23(2,3)34(6,7)33-24(22(29)31-5,20(26-25)21(28)30-4)15-13-19(27)14-16-32-17-18-11-9-8-10-12-18/h8-12H,13-17H2,1-7H3/t24-/m1/s1
InChIKeyARCUCVFRQSMOIZ-XMMPIXPASA-N
XLogP3.72
TPSA124.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate with MolForge

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Related Compounds

4-O-ethyl 1-O-methyl 3-diazo-2-hydroxy-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate
CID 146165809
4-O-ethyl 1-O-methyl 3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)-2-trimethylsilyloxybutanedioate
CID 146167237
4-O-ethyl 1-O-methyl 3-diazo-2-(3-oxo-5-phenylmethoxypentyl)-2-trimethylsilyloxybutanedioate
CID 146167239
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylidene-5-phenylmethoxypentyl)-3-oxobutanedioate
CID 155931320
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate
CID 155931926
dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-3-oxo-9-phenylnon-6-enyl]-2-triethylsilyloxybutanedioate
CID 155932396
4-O-ethyl 1-O-methyl 3-diazo-2-[1-(3-phenylpropanoyloxy)ethyl]-2-trimethylsilyloxybutanedioate
CID 101010205
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxo-6-phenylmethoxyhexanoate
CID 101374781
ethyl (5R)-2-diazo-5-[(E)-3-methyl-4-trimethylsilyloxybut-2-enoxy]-3-oxo-5-phenylpentanoate
CID 136037377

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate?
The IUPAC name of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate (CID 155931202) is dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate.
What is the SMILES notation for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate?
The canonical SMILES for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate is COC(=O)C(=[N+]=[N-])[C@@](CCC(=O)CCOCc1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate?
The InChIKey is ARCUCVFRQSMOIZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H36N2O7Si/c1-23(2,3)34(6,7)33-24(22(29)31-5,20(26-25)21(28)30-4)15-13-19(27)14-16-32-17-18-11-9-8-10-12-18/h8-12H,13-17H2,1-7H3/t24-/m1/s1.
What are the key properties of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate?
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate has a molecular weight of 492.65 g/mol, XLogP of 3.72, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate is sourced from PubChem (CID 155931202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).