methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate

C14H21IO3Si — CID 167730897

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
SMILESCOC(=O)c1ccc(I)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21IO3Si/c1-14(2,3)19(5,6)18-12-9-10(15)7-8-11(12)13(16)17-4/h7-9H,1-6H3
InChIKeyDJOJAWONMLVPHR-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.46
Rot. Bonds3

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate (PubChem CID 167730897) has the molecular formula C14H21IO3Si and a molecular weight of 392.31 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
PubChem CID167730897
Molecular FormulaC14H21IO3Si
Molecular Weight392.31 g/mol
Exact Mass392.03
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
SMILESCOC(=O)c1ccc(I)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21IO3Si/c1-14(2,3)19(5,6)18-12-9-10(15)7-8-11(12)13(16)17-4/h7-9H,1-6H3
InChIKeyDJOJAWONMLVPHR-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.46
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

2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoic acid
CID 167731636
methyl 4-iodo-2-trimethylsilyloxybenzoate
CID 167737475
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzoate
CID 167727351
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
3-[2-[tert-butyl(dimethyl)silyl]oxy-5-iodophenyl]propanoic acid
CID 19375763
methyl 3-[tert-butyl(dimethyl)silyl]oxythiophene-2-carboxylate
CID 19432955
dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
CID 10618775
methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
CID 167729628
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate (CID 167730897) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate is COC(=O)c1ccc(I)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate?
The InChIKey is DJOJAWONMLVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IO3Si/c1-14(2,3)19(5,6)18-12-9-10(15)7-8-11(12)13(16)17-4/h7-9H,1-6H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate has a molecular weight of 392.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate is sourced from PubChem (CID 167730897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).