3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate

C19H24O2Si — CID 102323356

IUPAC3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate
SMILESCCCC(=C=Cc1ccccc1)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C19H24O2Si/c1-5-10-18(14-13-17-11-7-6-8-12-17)19(20)21-15-9-16-22(2,3)4/h6-8,11-13H,5,10,15H2,1-4H3
InChIKeyFDBRXYZDZWIXSI-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.45
Rot. Bonds5

About 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate

3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate (PubChem CID 102323356) has the molecular formula C19H24O2Si and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate
PubChem CID102323356
Molecular FormulaC19H24O2Si
Molecular Weight312.48 g/mol
Exact Mass312.15
IUPAC Name3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate
SMILESCCCC(=C=Cc1ccccc1)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C19H24O2Si/c1-5-10-18(14-13-17-11-7-6-8-12-17)19(20)21-15-9-16-22(2,3)4/h6-8,11-13H,5,10,15H2,1-4H3
InChIKeyFDBRXYZDZWIXSI-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.45
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-(4-bromophenyl)ethenylidene]pentanoate
CID 102323359
3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate
CID 102323358
methyl 2-ethyl-4-phenylbuta-2,3-dienoate
CID 132532448
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
[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane
CID 101369380
3-trimethylsilylprop-2-ynyl 1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 122222549
methyl 2-[2-(3-methylphenyl)ethenylidene]hexanoate
CID 102499654
4-trimethylsilylbut-3-ynyl benzoate
CID 15214161
ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate
CID 10494896
methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate
CID 102496059
1-[methyl(diphenyl)silyl]butan-1-one
CID 10587992

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate?
The IUPAC name of 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate (CID 102323356) is 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate.
What is the SMILES notation for 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate?
The canonical SMILES for 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate is CCCC(=C=Cc1ccccc1)C(=O)OCC#C[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate?
The InChIKey is FDBRXYZDZWIXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-5-10-18(14-13-17-11-7-6-8-12-17)19(20)21-15-9-16-22(2,3)4/h6-8,11-13H,5,10,15H2,1-4H3.
What are the key properties of 3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate?
3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate has a molecular weight of 312.48 g/mol, XLogP of 4.45, 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-(2-phenylethenylidene)pentanoate is sourced from PubChem (CID 102323356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).