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

C15H24O4Si — CID 91737509

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(6,7)19-13-10-11(17-4)8-9-12(13)14(16)18-5/h8-10H,1-7H3
InChIKeyRPQWDANSHFKHDS-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.87
Rot. Bonds4

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

methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate (PubChem CID 91737509) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
PubChem CID91737509
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(6,7)19-13-10-11(17-4)8-9-12(13)14(16)18-5/h8-10H,1-7H3
InChIKeyRPQWDANSHFKHDS-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 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
CID 154709445
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
CID 162535644
methyl 3-[tert-butyl(dimethyl)silyl]oxythiophene-2-carboxylate
CID 19432955
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-N,N-diethylbenzamide
CID 11419229
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate (CID 91737509) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate?
The InChIKey is RPQWDANSHFKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-15(2,3)20(6,7)19-13-10-11(17-4)8-9-12(13)14(16)18-5/h8-10H,1-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-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 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate is sourced from PubChem (CID 91737509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).