ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate

C23H26O2Si — CID 11494269

IUPACethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate
SMILESCCOC(=O)/C=C/C#C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H26O2Si/c1-5-25-22(24)18-12-13-19-26(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-12,14-18H,5H2,1-4H3/b18-12+
InChIKeyLQKSMAJEAXRSOD-LDADJPATSA-N
MW362.55 g/mol
LogP3.71
Rot. Bonds4

About ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate

ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate (PubChem CID 11494269) has the molecular formula C23H26O2Si and a molecular weight of 362.55 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate
PubChem CID11494269
Molecular FormulaC23H26O2Si
Molecular Weight362.55 g/mol
Exact Mass362.17
IUPAC Nameethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate
SMILESCCOC(=O)/C=C/C#C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H26O2Si/c1-5-25-22(24)18-12-13-19-26(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-12,14-18H,5H2,1-4H3/b18-12+
InChIKeyLQKSMAJEAXRSOD-LDADJPATSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (E)-3,6-bis[tert-butyl(diphenyl)silyl]-2-cyano-2-(ethoxycarbonylamino)hex-3-en-5-ynoate
CID 102307134
ethyl 5-[4-(5-ethoxy-5-oxopent-3-en-1-ynyl)phenyl]pent-2-en-4-ynoate
CID 76556505
ethyl 2-(benzhydrylideneamino)-5-[tert-butyl(diphenyl)silyl]pent-4-ynoate
CID 10007553
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
ethyl (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-4-oxooct-2-enoate
CID 11080652
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate
CID 11999994
ethyl (E)-5-methyl-6-oxo-5-phenylhex-2-enoate
CID 11459248
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-5-phenylpent-2-enoate
CID 102343029
tert-butyl 5-[tert-butyl(diphenyl)silyl]-2-isocyanopent-4-ynoate
CID 10409743
ethyl 5-(4-methylphenyl)pent-2-en-4-ynoate
CID 85434381

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate (CID 11494269) is ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate is CCOC(=O)/C=C/C#C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate?
The InChIKey is LQKSMAJEAXRSOD-LDADJPATSA-N. The full InChI is InChI=1S/C23H26O2Si/c1-5-25-22(24)18-12-13-19-26(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-12,14-18H,5H2,1-4H3/b18-12+.
What are the key properties of ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate?
ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate has a molecular weight of 362.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[tert-butyl(diphenyl)silyl]pent-2-en-4-ynoate is sourced from PubChem (CID 11494269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).