3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid

C10H20N2O3Si — CID 57177157

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N2O3Si/c1-7(8(12-11)9(13)14)15-16(5,6)10(2,3)4/h7H,1-6H3,(H,13,14)
InChIKeyJZCMNVHPEAHHCE-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.15
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid (PubChem CID 57177157) has the molecular formula C10H20N2O3Si and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
PubChem CID57177157
Molecular FormulaC10H20N2O3Si
Molecular Weight244.37 g/mol
Exact Mass244.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N2O3Si/c1-7(8(12-11)9(13)14)15-16(5,6)10(2,3)4/h7H,1-6H3,(H,13,14)
InChIKeyJZCMNVHPEAHHCE-UHFFFAOYSA-N
XLogP2.15
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid 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 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid (CID 57177157) is 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid is CC(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
The InChIKey is JZCMNVHPEAHHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3Si/c1-7(8(12-11)9(13)14)15-16(5,6)10(2,3)4/h7H,1-6H3,(H,13,14).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid has a molecular weight of 244.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid is sourced from PubChem (CID 57177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).