3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate

C23H24O2Si — CID 102323358

IUPAC3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate
SMILESC[Si](C)(C)C#CCOC(=O)C(=C=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24O2Si/c1-26(2,3)18-10-17-25-23(24)22(19-21-13-8-5-9-14-21)16-15-20-11-6-4-7-12-20/h4-9,11-15H,17,19H2,1-3H3
InChIKeyCQMSGGFJODZPGP-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.89
Rot. Bonds5

About 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate

3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate (PubChem CID 102323358) has the molecular formula C23H24O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate
PubChem CID102323358
Molecular FormulaC23H24O2Si
Molecular Weight360.53 g/mol
Exact Mass360.15
IUPAC Name3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate
SMILESC[Si](C)(C)C#CCOC(=O)C(=C=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24O2Si/c1-26(2,3)18-10-17-25-23(24)22(19-21-13-8-5-9-14-21)16-15-20-11-6-4-7-12-20/h4-9,11-15H,17,19H2,1-3H3
InChIKeyCQMSGGFJODZPGP-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.89
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

3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate
CID 102323356
methyl 2-ethyl-4-phenylbuta-2,3-dienoate
CID 132532448
ethyl 2-benzylocta-2,3-dienoate
CID 11701627
ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
CID 164685697
ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate
CID 44605264
ethyl 2-phenylacetate
CID 7590
ethyl 2-benzyl-5-cyclohexyl-5-hydroxypenta-2,3-dienoate
CID 102481419
methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate
CID 102496059
ethyl 2-phenylacetate;hydrate
CID 141257001
trimethyl-[3-(2-phenylpropan-2-yloxy)prop-1-ynyl]silane
CID 134889522
3-trimethylsilylprop-2-ynyl 6-chloropyridazine-3-carboxylate
CID 174073203
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate?
The IUPAC name of 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate (CID 102323358) is 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate.
What is the SMILES notation for 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate?
The canonical SMILES for 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate is C[Si](C)(C)C#CCOC(=O)C(=C=Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate?
The InChIKey is CQMSGGFJODZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2Si/c1-26(2,3)18-10-17-25-23(24)22(19-21-13-8-5-9-14-21)16-15-20-11-6-4-7-12-20/h4-9,11-15H,17,19H2,1-3H3.
What are the key properties of 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate?
3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate has a molecular weight of 360.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate is sourced from PubChem (CID 102323358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).