trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate

C10H13IN6O2Si — CID 134967873

IUPACtrimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1I(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C10H13IN6O2Si/c1-20(2,3)19-10(18)8-6-4-5-7-9(8)11(14-16-12)15-17-13/h4-7H,1-3H3
InChIKeyVMSOSMDPRXDQLO-UHFFFAOYSA-N
MW404.24 g/mol
LogP4.80
Rot. Bonds5

About trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate

trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate (PubChem CID 134967873) has the molecular formula C10H13IN6O2Si and a molecular weight of 404.24 g/mol. Its IUPAC name is trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
PubChem CID134967873
Molecular FormulaC10H13IN6O2Si
Molecular Weight404.24 g/mol
Exact Mass403.99
IUPAC Nametrimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1I(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C10H13IN6O2Si/c1-20(2,3)19-10(18)8-6-4-5-7-9(8)11(14-16-12)15-17-13/h4-7H,1-3H3
InChIKeyVMSOSMDPRXDQLO-UHFFFAOYSA-N
XLogP4.80
TPSA123.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate 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

trimethylsilyl 2-methylbenzoate
CID 577266
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735844
trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
CID 528664
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
trimethylsilyl 2-acetyloxy-4-methylbenzoate
CID 91734092
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
methyl 2-azidosulfonylbenzoate
CID 25128429

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate?
The IUPAC name of trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate (CID 134967873) is trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate.
What is the SMILES notation for trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate?
The canonical SMILES for trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate is C[Si](C)(C)OC(=O)c1ccccc1I(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate?
The InChIKey is VMSOSMDPRXDQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN6O2Si/c1-20(2,3)19-10(18)8-6-4-5-7-9(8)11(14-16-12)15-17-13/h4-7H,1-3H3.
What are the key properties of trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate?
trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate has a molecular weight of 404.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate is sourced from PubChem (CID 134967873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).