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

C25H38N2O6Si — CID 155931926

IUPACdimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate
SMILESC=C(CCOCc1ccccc1)CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)OC)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C25H38N2O6Si/c1-19(15-17-32-18-20-12-10-9-11-13-20)14-16-25(23(29)31-6,21(27-26)22(28)30-5)33-34(7,8)24(2,3)4/h9-13H,1,14-18H2,2-8H3/t25-/m1/s1
InChIKeyKRYHUQKQDSRUAQ-RUZDIDTESA-N
MW490.67 g/mol
LogP4.71
Rot. Bonds13

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

dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate (PubChem CID 155931926) has the molecular formula C25H38N2O6Si and a molecular weight of 490.67 g/mol. Its IUPAC name is dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate
PubChem CID155931926
Molecular FormulaC25H38N2O6Si
Molecular Weight490.67 g/mol
Exact Mass490.25
IUPAC Namedimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate
SMILESC=C(CCOCc1ccccc1)CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)OC)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C25H38N2O6Si/c1-19(15-17-32-18-20-12-10-9-11-13-20)14-16-25(23(29)31-6,21(27-26)22(28)30-5)33-34(7,8)24(2,3)4/h9-13H,1,14-18H2,2-8H3/t25-/m1/s1
InChIKeyKRYHUQKQDSRUAQ-RUZDIDTESA-N
XLogP4.71
TPSA107.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methylidene-5-phenylmethoxypentyl)butanedioate 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

1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
Benzyl 2-diazo-3-tert-butyldimethylsilyloxybutenoate
CID 54368050
Diethyl 3-diazo-2-hydroxy-2-phenylbutanedioate
CID 85808813
benzyl (Z)-2-diazo-3-tri(propan-2-yl)silyloxypent-3-enoate
CID 136230100
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-(2-iodophenyl)propanoate
CID 137300567
methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 146018756
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-3-diazo-2-(3-oxo-5-phenylmethoxypentyl)butanedioate
CID 155931202
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylidene-5-phenylmethoxypentyl)-3-oxobutanedioate
CID 155931320
dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-3-oxo-9-phenylnon-6-enyl]-2-triethylsilyloxybutanedioate
CID 155932396

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate?
The IUPAC name of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate (CID 155931926) is dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate.
What is the SMILES notation for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate?
The canonical SMILES for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate is C=C(CCOCc1ccccc1)CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)OC)C(=[N+]=[N-])C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate?
The InChIKey is KRYHUQKQDSRUAQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H38N2O6Si/c1-19(15-17-32-18-20-12-10-9-11-13-20)14-16-25(23(29)31-6,21(27-26)22(28)30-5)33-34(7,8)24(2,3)4/h9-13H,1,14-18H2,2-8H3/t25-/m1/s1.
What are the key properties of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate?
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate has a molecular weight of 490.67 g/mol, XLogP of 4.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-diazo-2-(3-methylidene-5-phenylmethoxypentyl)butanedioate is sourced from PubChem (CID 155931926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).