methyl 3-diphenylsilyloxybut-2-enoate

C17H18O3Si — CID 71423824

IUPACmethyl 3-diphenylsilyloxybut-2-enoate
SMILESCOC(=O)C=C(C)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O3Si/c1-14(13-17(18)19-2)20-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,21H,1-2H3
InChIKeyXEQNLEZRVFVYJO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.62
Rot. Bonds5

About methyl 3-diphenylsilyloxybut-2-enoate

methyl 3-diphenylsilyloxybut-2-enoate (PubChem CID 71423824) has the molecular formula C17H18O3Si and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-diphenylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl 3-diphenylsilyloxybut-2-enoate
PubChem CID71423824
Molecular FormulaC17H18O3Si
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Namemethyl 3-diphenylsilyloxybut-2-enoate
SMILESCOC(=O)C=C(C)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O3Si/c1-14(13-17(18)19-2)20-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,21H,1-2H3
InChIKeyXEQNLEZRVFVYJO-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
methyl 3-methyl-4-phenylsulfanylbut-2-enoate
CID 71404233
methyl (E)-3-(2-hydroxyphenyl)but-2-enoate
CID 59078190
methyl (Z)-3-[[(1S)-1-phenylethyl]amino]but-2-enoate
CID 11009469
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
CID 134940944
methyl (Z)-3-phenyl-3-trimethylstannylprop-2-enoate
CID 10663790
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
methyl 3-hydroxybut-2-enoate
CID 54691070

Frequently Asked Questions

What is the IUPAC name of methyl 3-diphenylsilyloxybut-2-enoate?
The IUPAC name of methyl 3-diphenylsilyloxybut-2-enoate (CID 71423824) is methyl 3-diphenylsilyloxybut-2-enoate.
What is the SMILES notation for methyl 3-diphenylsilyloxybut-2-enoate?
The canonical SMILES for methyl 3-diphenylsilyloxybut-2-enoate is COC(=O)C=C(C)O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-diphenylsilyloxybut-2-enoate?
The InChIKey is XEQNLEZRVFVYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3Si/c1-14(13-17(18)19-2)20-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,21H,1-2H3.
What are the key properties of methyl 3-diphenylsilyloxybut-2-enoate?
methyl 3-diphenylsilyloxybut-2-enoate has a molecular weight of 298.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-diphenylsilyloxybut-2-enoate is sourced from PubChem (CID 71423824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).