methyl 2-benzyl-3-triethoxysilylpropanoate

C17H28O5Si — CID 101367769

IUPACmethyl 2-benzyl-3-triethoxysilylpropanoate
SMILESCCO[Si](CC(Cc1ccccc1)C(=O)OC)(OCC)OCC
InChIInChI=1S/C17H28O5Si/c1-5-20-23(21-6-2,22-7-3)14-16(17(18)19-4)13-15-11-9-8-10-12-15/h8-12,16H,5-7,13-14H2,1-4H3
InChIKeyDRXZSQURYIZALW-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.07
Rot. Bonds11

About methyl 2-benzyl-3-triethoxysilylpropanoate

methyl 2-benzyl-3-triethoxysilylpropanoate (PubChem CID 101367769) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is methyl 2-benzyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Namemethyl 2-benzyl-3-triethoxysilylpropanoate
PubChem CID101367769
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Namemethyl 2-benzyl-3-triethoxysilylpropanoate
SMILESCCO[Si](CC(Cc1ccccc1)C(=O)OC)(OCC)OCC
InChIInChI=1S/C17H28O5Si/c1-5-20-23(21-6-2,22-7-3)14-16(17(18)19-4)13-15-11-9-8-10-12-15/h8-12,16H,5-7,13-14H2,1-4H3
InChIKeyDRXZSQURYIZALW-UHFFFAOYSA-N
XLogP3.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 2-benzyl-4-oxobutanoate
CID 10608348
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-benzyl-3-pyrazol-1-ylpropanoate
CID 22910248
methyl 2-benzyl-5-methyl-4-oxohexanoate
CID 58307925
methyl 2-benzyl-4-(dimethylamino)butanoate
CID 170551265
methyl 2-benzyl-4-methyl-5-oxohexanoate
CID 163944835
methyl 2-benzyl-3-(carbamothioylamino)propanoate
CID 166727769
methyl (E)-2-benzyl-6-methylhept-4-enoate
CID 10467112
dimethyl 4-benzyl-2,2-dimethoxypentanedioate
CID 15097817
methyl (2R)-2-benzyl-3-[(2S)-oxiran-2-yl]propanoate
CID 59131552
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-3-triethoxysilylpropanoate?
The IUPAC name of methyl 2-benzyl-3-triethoxysilylpropanoate (CID 101367769) is methyl 2-benzyl-3-triethoxysilylpropanoate.
What is the SMILES notation for methyl 2-benzyl-3-triethoxysilylpropanoate?
The canonical SMILES for methyl 2-benzyl-3-triethoxysilylpropanoate is CCO[Si](CC(Cc1ccccc1)C(=O)OC)(OCC)OCC.
What is the InChIKey of methyl 2-benzyl-3-triethoxysilylpropanoate?
The InChIKey is DRXZSQURYIZALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-5-20-23(21-6-2,22-7-3)14-16(17(18)19-4)13-15-11-9-8-10-12-15/h8-12,16H,5-7,13-14H2,1-4H3.
What are the key properties of methyl 2-benzyl-3-triethoxysilylpropanoate?
methyl 2-benzyl-3-triethoxysilylpropanoate has a molecular weight of 340.49 g/mol, XLogP of 3.07, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 101367769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).