methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate

C15H24O4Si — CID 18464864

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1OC
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(6,7)19-11-8-9-13(17-4)12(10-11)14(16)18-5/h8-10H,1-7H3
InChIKeyYYNODDKKVXAAPW-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.87
Rot. Bonds4

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate (PubChem CID 18464864) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
PubChem CID18464864
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1OC
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(6,7)19-11-8-9-13(17-4)12(10-11)14(16)18-5/h8-10H,1-7H3
InChIKeyYYNODDKKVXAAPW-UHFFFAOYSA-N
XLogP3.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.87
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 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
CID 154709445
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
CID 18443665
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 3-[2-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]-4-bromobenzoate
CID 140840729
[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
CID 87591455

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate (CID 18464864) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate is COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1OC.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate?
The InChIKey is YYNODDKKVXAAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-15(2,3)20(6,7)19-11-8-9-13(17-4)12(10-11)14(16)18-5/h8-10H,1-7H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate has a molecular weight of 296.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate is sourced from PubChem (CID 18464864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).