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

C37H36OSi2 — CID 15400139

IUPAC2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(C)C(C)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H36OSi2/c1-5-27-39(31-19-11-7-12-20-31,32-21-13-8-14-22-32)36-29(3)30(4)37(35(36)38)40(28-6-2,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h5-26H,1-2,27-28H2,3-4H3
InChIKeyJYMPWCMKWSNTOI-UHFFFAOYSA-N
MW552.87 g/mol
LogP6.18
Rot. Bonds10

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

2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one (PubChem CID 15400139) has the molecular formula C37H36OSi2 and a molecular weight of 552.87 g/mol. Its IUPAC name is 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one
PubChem CID15400139
Molecular FormulaC37H36OSi2
Molecular Weight552.87 g/mol
Exact Mass552.23
IUPAC Name2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(C)C(C)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H36OSi2/c1-5-27-39(31-19-11-7-12-20-31,32-21-13-8-14-22-32)36-29(3)30(4)37(35(36)38)40(28-6-2,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h5-26H,1-2,27-28H2,3-4H3
InChIKeyJYMPWCMKWSNTOI-UHFFFAOYSA-N
XLogP6.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.87
LogP ≤ 56.18
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

[(Z)-2-methylbut-2-enyl]-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-diphenylsilane
CID 10720262
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
(Z)-4-bis(triphenylsilyloxy)alumanyloxypent-3-en-2-one
CID 141687801
2-[Tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone
CID 10525889
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
(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one
CID 15681860
(E)-4-triphenylsilylbut-3-en-2-one
CID 101774289
2,5-Bis(triphenylsilyl)cyclopenta-2,4-dien-1-one
CID 102500774
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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one (CID 15400139) is 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one is C=CC[Si](C1=C(C)C(C)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one?
The InChIKey is JYMPWCMKWSNTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36OSi2/c1-5-27-39(31-19-11-7-12-20-31,32-21-13-8-14-22-32)36-29(3)30(4)37(35(36)38)40(28-6-2,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h5-26H,1-2,27-28H2,3-4H3.
What are the key properties of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one?
2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one has a molecular weight of 552.87 g/mol, XLogP of 6.18, 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]-3,4-dimethylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 15400139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).