ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate

C17H26O3Si — CID 11844681

IUPACethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26O3Si/c1-7-19-16(18)15(14-11-9-8-10-12-14)13-20-21(5,6)17(2,3)4/h8-13H,7H2,1-6H3/b15-13-
InChIKeySXYARJVXRTZLPJ-SQFISAMPSA-N
MW306.48 g/mol
LogP4.61
Rot. Bonds5

About ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate

ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate (PubChem CID 11844681) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
PubChem CID11844681
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Nameethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26O3Si/c1-7-19-16(18)15(14-11-9-8-10-12-14)13-20-21(5,6)17(2,3)4/h8-13H,7H2,1-6H3/b15-13-
InChIKeySXYARJVXRTZLPJ-SQFISAMPSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.61
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

ethyl 2-phenylpent-2-enoate
CID 148550128
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl (E)-2-(3-bromophenyl)-3-[tert-butyl(diphenyl)silyl]oxyprop-2-enoate
CID 177389102
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
diethyl (E)-4,4-difluoro-2-phenylpent-2-enedioate
CID 162408755
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate (CID 11844681) is ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate is CCOC(=O)/C(=C\O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate?
The InChIKey is SXYARJVXRTZLPJ-SQFISAMPSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-7-19-16(18)15(14-11-9-8-10-12-14)13-20-21(5,6)17(2,3)4/h8-13H,7H2,1-6H3/b15-13-.
What are the key properties of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate?
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate has a molecular weight of 306.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate is sourced from PubChem (CID 11844681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).