ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate

C26H26O2Sn — CID 177386904

IUPACethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate
SMILESCCOC(=O)/C(C)=C/C=C\[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C8H11O2.3C6H5.Sn/c1-4-6-7(3)8(9)10-5-2;3*1-2-4-6-5-3-1;/h1,4,6H,5H2,2-3H3;3*1-5H;/b4-1?,7-6+;;;;
InChIKeySVOACEJFUXGSIR-LDCWWTEVSA-N
MW489.20 g/mol
LogP3.76
Rot. Bonds7

About ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate

ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate (PubChem CID 177386904) has the molecular formula C26H26O2Sn and a molecular weight of 489.20 g/mol. Its IUPAC name is ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate
PubChem CID177386904
Molecular FormulaC26H26O2Sn
Molecular Weight489.20 g/mol
Exact Mass490.10
IUPAC Nameethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate
SMILESCCOC(=O)/C(C)=C/C=C\[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C8H11O2.3C6H5.Sn/c1-4-6-7(3)8(9)10-5-2;3*1-2-4-6-5-3-1;/h1,4,6H,5H2,2-3H3;3*1-5H;/b4-1?,7-6+;;;;
InChIKeySVOACEJFUXGSIR-LDCWWTEVSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
[(2E,4E,6Z)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium
CID 22129223
[(2E,4E,6E)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium chloride
CID 6366357
[(2E,4E,6E,8E,10Z)-12-ethoxy-3,7,11-trimethyl-12-oxododeca-2,4,6,8,10-pentaenyl]-triphenylphosphanium
CID 88805250
diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CID 59805033
diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CID 73069762
ethyl (2E,4E,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxo-7-phenylhepta-2,4-dienoate
CID 135026288
ethyl 3-phenyl-2,3-bis(sulfanyl)prop-2-enoate
CID 72543001
ethyl (2E,4E)-2-methylhepta-2,4-dien-6-ynoate
CID 11816044
benzyl 3-ethoxy-2-methylprop-2-enoate
CID 70625989
ethyl (E)-2-methyl-4-phenylpent-2-enoate;(E)-2-methyl-4-phenylpent-2-en-1-ol
CID 158052477
ethyl (2E,4E)-2,7-dimethylocta-2,4-dienoate
CID 88840952

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate?
The IUPAC name of ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate (CID 177386904) is ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate is CCOC(=O)/C(C)=C/C=C\[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate?
The InChIKey is SVOACEJFUXGSIR-LDCWWTEVSA-N. The full InChI is InChI=1S/C8H11O2.3C6H5.Sn/c1-4-6-7(3)8(9)10-5-2;3*1-2-4-6-5-3-1;/h1,4,6H,5H2,2-3H3;3*1-5H;/b4-1?,7-6+;;;;.
What are the key properties of ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate?
ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate has a molecular weight of 489.20 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4Z)-2-methyl-5-triphenylstannylpenta-2,4-dienoate is sourced from PubChem (CID 177386904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).