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

C29H30O4Si — CID 140692804

IUPACmethyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2cc1OC
InChIInChI=1S/C29H30O4Si/c1-29(2,3)34(22-14-8-6-9-15-22,23-16-10-7-11-17-23)33-26-18-12-13-21-19-25(28(30)32-5)27(31-4)20-24(21)26/h6-20H,1-5H3
InChIKeyROAYHQARKWGOKF-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.57
Rot. Bonds6

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

methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate (PubChem CID 140692804) has the molecular formula C29H30O4Si and a molecular weight of 470.64 g/mol. Its IUPAC name is methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
PubChem CID140692804
Molecular FormulaC29H30O4Si
Molecular Weight470.64 g/mol
Exact Mass470.19
IUPAC Namemethyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2cc1OC
InChIInChI=1S/C29H30O4Si/c1-29(2,3)34(22-14-8-6-9-15-22,23-16-10-7-11-17-23)33-26-18-12-13-21-19-25(28(30)32-5)27(31-4)20-24(21)26/h6-20H,1-5H3
InChIKeyROAYHQARKWGOKF-UHFFFAOYSA-N
XLogP5.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.57
H-Bond Donors ≤ 50
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-hydroxynaphthalene-2-carboxylate
CID 123544517
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
CID 173074395
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
3-[2-amino-4-[tert-butyl(diphenyl)silyl]oxy-5-methoxybenzoyl]benzonitrile
CID 69154851
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropoxy]-4-(2,6-dimethoxyphenyl)-6-oxopyran-2-carboxylate
CID 172588937

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate (CID 140692804) is methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate is COC(=O)c1cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2cc1OC.
What is the InChIKey of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate?
The InChIKey is ROAYHQARKWGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O4Si/c1-29(2,3)34(22-14-8-6-9-15-22,23-16-10-7-11-17-23)33-26-18-12-13-21-19-25(28(30)32-5)27(31-4)20-24(21)26/h6-20H,1-5H3.
What are the key properties of methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate?
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate has a molecular weight of 470.64 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 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-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 140692804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).