2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one

C35H32OSi2 — CID 11005892

IUPAC2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=CC=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H32OSi2/c1-3-27-37(29-17-9-5-10-18-29,30-19-11-6-12-20-30)33-25-26-34(35(33)36)38(28-4-2,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h3-26H,1-2,27-28H2
InChIKeyRWMVLIKTHLZUCT-UHFFFAOYSA-N
MW524.81 g/mol
LogP5.40
Rot. Bonds10

About 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one

2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one (PubChem CID 11005892) has the molecular formula C35H32OSi2 and a molecular weight of 524.81 g/mol. Its IUPAC name is 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
PubChem CID11005892
Molecular FormulaC35H32OSi2
Molecular Weight524.81 g/mol
Exact Mass524.20
IUPAC Name2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=CC=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H32OSi2/c1-3-27-37(29-17-9-5-10-18-29,30-19-11-6-12-20-30)33-25-26-34(35(33)36)38(28-4-2,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h3-26H,1-2,27-28H2
InChIKeyRWMVLIKTHLZUCT-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.81
LogP ≤ 55.40
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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Related Compounds

(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
CID 14934034
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
Triphenylsilyl vinyl ketone
CID 15033005
(E)-1-triphenylsilylhept-2-en-1-one
CID 15033619
(E)-3-trimethylsilyl-1-triphenylsilylprop-2-en-1-one
CID 101115089
(Z)-4-bis(triphenylsilyloxy)alumanyloxypent-3-en-2-one
CID 141687801
2,5-Bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione
CID 4867671
2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 10897710
(E)-1-triphenylsilylbut-2-en-1-one
CID 15033618
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
(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one
CID 101115081

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one (CID 11005892) is 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one is C=CC[Si](C1=CC=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The InChIKey is RWMVLIKTHLZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32OSi2/c1-3-27-37(29-17-9-5-10-18-29,30-19-11-6-12-20-30)33-25-26-34(35(33)36)38(28-4-2,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h3-26H,1-2,27-28H2.
What are the key properties of 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one has a molecular weight of 524.81 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 11005892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).