methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate

C14H24N2O3Si — CID 54327180

IUPACmethyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(C)n1COCC[Si](C)(C)C
InChIInChI=1S/C14H24N2O3Si/c1-12-15-10-13(6-7-14(17)18-2)16(12)11-19-8-9-20(3,4)5/h6-7,10H,8-9,11H2,1-5H3
InChIKeySVUBBLQWHUPYBR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.69
Rot. Bonds7

About methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate

methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate (PubChem CID 54327180) has the molecular formula C14H24N2O3Si and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate
PubChem CID54327180
Molecular FormulaC14H24N2O3Si
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(C)n1COCC[Si](C)(C)C
InChIInChI=1S/C14H24N2O3Si/c1-12-15-10-13(6-7-14(17)18-2)16(12)11-19-8-9-20(3,4)5/h6-7,10H,8-9,11H2,1-5H3
InChIKeySVUBBLQWHUPYBR-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate?
The IUPAC name of methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate (CID 54327180) is methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate is COC(=O)C=Cc1cnc(C)n1COCC[Si](C)(C)C.
What is the InChIKey of methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate?
The InChIKey is SVUBBLQWHUPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3Si/c1-12-15-10-13(6-7-14(17)18-2)16(12)11-19-8-9-20(3,4)5/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate?
methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate has a molecular weight of 296.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate is sourced from PubChem (CID 54327180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).