methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate

C28H28O4Si — CID 123544517

IUPACmethyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2cc1O
InChIInChI=1S/C28H28O4Si/c1-28(2,3)33(21-13-7-5-8-14-21,22-15-9-6-10-16-22)32-26-17-11-12-20-18-24(27(30)31-4)25(29)19-23(20)26/h5-19,29H,1-4H3
InChIKeyFJHWZXBILWJSNF-UHFFFAOYSA-N
MW456.61 g/mol
LogP5.27
Rot. Bonds5

About methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate

methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate (PubChem CID 123544517) has the molecular formula C28H28O4Si and a molecular weight of 456.61 g/mol. Its IUPAC name is methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate
PubChem CID123544517
Molecular FormulaC28H28O4Si
Molecular Weight456.61 g/mol
Exact Mass456.18
IUPAC Namemethyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2cc1O
InChIInChI=1S/C28H28O4Si/c1-28(2,3)33(21-13-7-5-8-14-21,22-15-9-6-10-16-22)32-26-17-11-12-20-18-24(27(30)31-4)25(29)19-23(20)26/h5-19,29H,1-4H3
InChIKeyFJHWZXBILWJSNF-UHFFFAOYSA-N
XLogP5.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
CID 140692804
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
CID 173074395
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 3-benzyl-6,7-dihydroxyphenanthrene-9-carboxylate
CID 143979969
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
methyl 3-tert-butylnaphthalene-2-carboxylate
CID 58452214
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
methyl acridine-1-carboxylate
CID 54560619

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate (CID 123544517) is methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate is COC(=O)c1cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2cc1O.
What is the InChIKey of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate?
The InChIKey is FJHWZXBILWJSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O4Si/c1-28(2,3)33(21-13-7-5-8-14-21,22-15-9-6-10-16-22)32-26-17-11-12-20-18-24(27(30)31-4)25(29)19-23(20)26/h5-19,29H,1-4H3.
What are the key properties of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate?
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate has a molecular weight of 456.61 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 123544517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).