2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one

C51H48OSi3 — CID 134977140

IUPAC2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(C)C([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H48OSi3/c1-5-38-53(42-26-14-8-15-27-42,43-28-16-9-17-29-43)49-41(4)50(54(39-6-2,44-30-18-10-19-31-44)45-32-20-11-21-33-45)51(48(49)52)55(40-7-3,46-34-22-12-23-35-46)47-36-24-13-25-37-47/h5-37H,1-3,38-40H2,4H3
InChIKeyLVIAXMMLQVRQDT-UHFFFAOYSA-N
MW761.20 g/mol
LogP8.15
Rot. Bonds15

About 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one

2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one (PubChem CID 134977140) has the molecular formula C51H48OSi3 and a molecular weight of 761.20 g/mol. Its IUPAC name is 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one
PubChem CID134977140
Molecular FormulaC51H48OSi3
Molecular Weight761.20 g/mol
Exact Mass760.30
IUPAC Name2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(C)C([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H48OSi3/c1-5-38-53(42-26-14-8-15-27-42,43-28-16-9-17-29-43)49-41(4)50(54(39-6-2,44-30-18-10-19-31-44)45-32-20-11-21-33-45)51(48(49)52)55(40-7-3,46-34-22-12-23-35-46)47-36-24-13-25-37-47/h5-37H,1-3,38-40H2,4H3
InChIKeyLVIAXMMLQVRQDT-UHFFFAOYSA-N
XLogP8.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.20
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1,1-Bis(triphenylsilyl)ethanol
CID 4427596
(Z)-4-bis(triphenylsilyloxy)alumanyloxypent-3-en-2-one
CID 141687801
2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 10897710
2,5-Bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 11005892
3-[2,2-Diphenyl-3,3-bis(tri-methylsilyl)-2-silapropyl]-4-methyl-1,1-diphenyl-6,6-bis(trimethylsilyl)-1-sila-3-cyclohexene
CID 14292410
3,4-Dibutyl-2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 15400127
2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one
CID 15400139
2,5-Bis(triphenylsilyl)cyclopenta-2,4-dien-1-one
CID 102500774
Tris(2,2-diphenyl-2-t-butyl-dimethyldisilanyl)methylsilane
CID 129707094
3-[2,2-Dimethyl-3-(methyl-diphenylsilyl)-3-(trimethyl-silyl)-2-silapropyl]-1,1,4-trimethyl-6-(methyldiphenyl-silyl)-6-(trimethylsilyl)-1-sila-3-cyclohexene
CID 129828874
2,3,5-Tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one
CID 134977266
2,3,5-Tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 134977397

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one (CID 134977140) is 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one is C=CC[Si](C1=C(C)C([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one?
The InChIKey is LVIAXMMLQVRQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48OSi3/c1-5-38-53(42-26-14-8-15-27-42,43-28-16-9-17-29-43)49-41(4)50(54(39-6-2,44-30-18-10-19-31-44)45-32-20-11-21-33-45)51(48(49)52)55(40-7-3,46-34-22-12-23-35-46)47-36-24-13-25-37-47/h5-37H,1-3,38-40H2,4H3.
What are the key properties of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one?
2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one has a molecular weight of 761.20 g/mol, XLogP of 8.15, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 134977140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).