ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate

C24H38O3Si2 — CID 11502885

IUPACethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate
SMILESCCOC(=O)/C(C#C[Si](C)(C)C)=C(/CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H38O3Si2/c1-10-26-23(25)22(17-19-28(5,6)7)21(20-14-12-11-13-15-20)16-18-27-29(8,9)24(2,3)4/h11-15H,10,16,18H2,1-9H3/b22-21-
InChIKeyLQUARLWRLRQWEV-DQRAZIAOSA-N
MW430.74 g/mol
LogP6.30
Rot. Bonds7

About ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate

ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate (PubChem CID 11502885) has the molecular formula C24H38O3Si2 and a molecular weight of 430.74 g/mol. Its IUPAC name is ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate
PubChem CID11502885
Molecular FormulaC24H38O3Si2
Molecular Weight430.74 g/mol
Exact Mass430.24
IUPAC Nameethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate
SMILESCCOC(=O)/C(C#C[Si](C)(C)C)=C(/CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H38O3Si2/c1-10-26-23(25)22(17-19-28(5,6)7)21(20-14-12-11-13-15-20)16-18-27-29(8,9)24(2,3)4/h11-15H,10,16,18H2,1-9H3/b22-21-
InChIKeyLQUARLWRLRQWEV-DQRAZIAOSA-N
XLogP6.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.74
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate?
The IUPAC name of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate (CID 11502885) is ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate.
What is the SMILES notation for ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate?
The canonical SMILES for ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate is CCOC(=O)/C(C#C[Si](C)(C)C)=C(/CCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate?
The InChIKey is LQUARLWRLRQWEV-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H38O3Si2/c1-10-26-23(25)22(17-19-28(5,6)7)21(20-14-12-11-13-15-20)16-18-27-29(8,9)24(2,3)4/h11-15H,10,16,18H2,1-9H3/b22-21-.
What are the key properties of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate?
ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate has a molecular weight of 430.74 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate is sourced from PubChem (CID 11502885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).