methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate

C16H26O4Si — CID 122373272

IUPACmethyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(OC)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-11-9-12(18-4)10-13(14(11)20-21(6,7)8)16(2,3)15(17)19-5/h9-10H,1-8H3
InChIKeyMMURQCYXVZDTRA-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate

methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate (PubChem CID 122373272) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate
PubChem CID122373272
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(OC)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-11-9-12(18-4)10-13(14(11)20-21(6,7)8)16(2,3)15(17)19-5/h9-10H,1-8H3
InChIKeyMMURQCYXVZDTRA-UHFFFAOYSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.67
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-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
methyl 2-(3,5-diiodo-2-methoxyphenyl)-2-methylpropanoate
CID 57419460
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
CID 155631420
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde
CID 167718769
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
CID 20693410
3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
CID 167741862
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate (CID 122373272) is methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1cc(OC)cc(C)c1O[Si](C)(C)C.
What is the InChIKey of methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate?
The InChIKey is MMURQCYXVZDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-11-9-12(18-4)10-13(14(11)20-21(6,7)8)16(2,3)15(17)19-5/h9-10H,1-8H3.
What are the key properties of methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate?
methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate has a molecular weight of 310.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 122373272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).