methyl 4-iodo-2-trimethylsilyloxybenzoate

C11H15IO3Si — CID 167737475

IUPACmethyl 4-iodo-2-trimethylsilyloxybenzoate
SMILESCOC(=O)c1ccc(I)cc1O[Si](C)(C)C
InChIInChI=1S/C11H15IO3Si/c1-14-11(13)9-6-5-8(12)7-10(9)15-16(2,3)4/h5-7H,1-4H3
InChIKeyISEOSKJLESVZAB-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.29
Rot. Bonds3

About methyl 4-iodo-2-trimethylsilyloxybenzoate

methyl 4-iodo-2-trimethylsilyloxybenzoate (PubChem CID 167737475) has the molecular formula C11H15IO3Si and a molecular weight of 350.23 g/mol. Its IUPAC name is methyl 4-iodo-2-trimethylsilyloxybenzoate.

Molecular Properties

Compound Namemethyl 4-iodo-2-trimethylsilyloxybenzoate
PubChem CID167737475
Molecular FormulaC11H15IO3Si
Molecular Weight350.23 g/mol
Exact Mass349.98
IUPAC Namemethyl 4-iodo-2-trimethylsilyloxybenzoate
SMILESCOC(=O)c1ccc(I)cc1O[Si](C)(C)C
InChIInChI=1S/C11H15IO3Si/c1-14-11(13)9-6-5-8(12)7-10(9)15-16(2,3)4/h5-7H,1-4H3
InChIKeyISEOSKJLESVZAB-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
methyl 2-(2-ethoxy-2-oxoethoxy)-4-iodobenzoate
CID 67324883
sodium;methyl 2-amino-4-iodobenzoate;hydroxide
CID 172735794
methyl 2-fluoro-5-iodobenzoate
CID 24820379
trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
CID 528664
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoic acid
CID 167731636
methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
methyl 2-(carbamoylsulfamoyl)-4-iodobenzoate
CID 22131495
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509

Frequently Asked Questions

What is the IUPAC name of methyl 4-iodo-2-trimethylsilyloxybenzoate?
The IUPAC name of methyl 4-iodo-2-trimethylsilyloxybenzoate (CID 167737475) is methyl 4-iodo-2-trimethylsilyloxybenzoate.
What is the SMILES notation for methyl 4-iodo-2-trimethylsilyloxybenzoate?
The canonical SMILES for methyl 4-iodo-2-trimethylsilyloxybenzoate is COC(=O)c1ccc(I)cc1O[Si](C)(C)C.
What is the InChIKey of methyl 4-iodo-2-trimethylsilyloxybenzoate?
The InChIKey is ISEOSKJLESVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO3Si/c1-14-11(13)9-6-5-8(12)7-10(9)15-16(2,3)4/h5-7H,1-4H3.
What are the key properties of methyl 4-iodo-2-trimethylsilyloxybenzoate?
methyl 4-iodo-2-trimethylsilyloxybenzoate has a molecular weight of 350.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-iodo-2-trimethylsilyloxybenzoate is sourced from PubChem (CID 167737475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).