methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

C16H26O4Si — CID 11066876

IUPACmethyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H26O4Si/c1-16(2,15(17)19-4)14(20-21(5,6)7)12-8-10-13(18-3)11-9-12/h8-11,14H,1-7H3
InChIKeyREWRIZGHXPZBHY-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.79
Rot. Bonds6

About methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (PubChem CID 11066876) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
PubChem CID11066876
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H26O4Si/c1-16(2,15(17)19-4)14(20-21(5,6)7)12-8-10-13(18-3)11-9-12/h8-11,14H,1-7H3
InChIKeyREWRIZGHXPZBHY-UHFFFAOYSA-N
XLogP3.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.79
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 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 134930806
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
CID 88961149
CID 88961149
dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate
CID 101449757
dimethyl 2-[(1S)-1-(4-methoxyphenyl)prop-2-enyl]-2-methylpropanedioate
CID 11808469
methyl 3-hydroxy-2,2-dimethyl-3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 52951685
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
1-(4-methoxyphenyl)-2-methyl-2-trimethylsilyloxypropan-1-one
CID 101490737
methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
CID 18413307
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644811
methyl 4-[1,2-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]benzoate
CID 177460702
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (CID 11066876) is methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is COC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The InChIKey is REWRIZGHXPZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-16(2,15(17)19-4)14(20-21(5,6)7)12-8-10-13(18-3)11-9-12/h8-11,14H,1-7H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate has a molecular weight of 310.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 11066876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).