methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate

C26H42N2O5Si — CID 101374785

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate
SMILESCCCCCCCC(CC(=O)C(=[N+]=[N-])C(=O)OC)(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C26H42N2O5Si/c1-9-10-11-12-13-18-26(33-34(7,8)25(2,3)4,20-14-16-21(31-5)17-15-20)19-22(29)23(28-27)24(30)32-6/h14-17H,9-13,18-19H2,1-8H3
InChIKeyPPRAJUOHLRRVBS-UHFFFAOYSA-N
MW490.72 g/mol
LogP6.08
Rot. Bonds14

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate (PubChem CID 101374785) has the molecular formula C26H42N2O5Si and a molecular weight of 490.72 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate
PubChem CID101374785
Molecular FormulaC26H42N2O5Si
Molecular Weight490.72 g/mol
Exact Mass490.29
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate
SMILESCCCCCCCC(CC(=O)C(=[N+]=[N-])C(=O)OC)(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C26H42N2O5Si/c1-9-10-11-12-13-18-26(33-34(7,8)25(2,3)4,20-14-16-21(31-5)17-15-20)19-22(29)23(28-27)24(30)32-6/h14-17H,9-13,18-19H2,1-8H3
InChIKeyPPRAJUOHLRRVBS-UHFFFAOYSA-N
XLogP6.08
TPSA98.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.72
LogP ≤ 56.08
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate (CID 101374785) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate is CCCCCCCC(CC(=O)C(=[N+]=[N-])C(=O)OC)(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate?
The InChIKey is PPRAJUOHLRRVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O5Si/c1-9-10-11-12-13-18-26(33-34(7,8)25(2,3)4,20-14-16-21(31-5)17-15-20)19-22(29)23(28-27)24(30)32-6/h14-17H,9-13,18-19H2,1-8H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxododecanoate has a molecular weight of 490.72 g/mol, XLogP of 6.08, 14 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-(4-methoxyphenyl)-3-oxododecanoate is sourced from PubChem (CID 101374785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).