3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione

C20H22O2Si2 — CID 11792193

IUPAC3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione
SMILESC[Si](C)(c1ccccc1)c1c([Si](C)(C)c2ccccc2)c(=O)c1=O
InChIInChI=1S/C20H22O2Si2/c1-23(2,15-11-7-5-8-12-15)19-17(21)18(22)20(19)24(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyODGZVKZOXDFQEM-UHFFFAOYSA-N
MW350.57 g/mol
LogP0.93
Rot. Bonds4

About 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione

3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione (PubChem CID 11792193) has the molecular formula C20H22O2Si2 and a molecular weight of 350.57 g/mol. Its IUPAC name is 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione
PubChem CID11792193
Molecular FormulaC20H22O2Si2
Molecular Weight350.57 g/mol
Exact Mass350.12
IUPAC Name3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione
SMILESC[Si](C)(c1ccccc1)c1c([Si](C)(C)c2ccccc2)c(=O)c1=O
InChIInChI=1S/C20H22O2Si2/c1-23(2,15-11-7-5-8-12-15)19-17(21)18(22)20(19)24(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyODGZVKZOXDFQEM-UHFFFAOYSA-N
XLogP0.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.57
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one
CID 24867780
2-[[4-[Dimethyl(2-oxoethenyl)silyl]phenyl]-dimethylsilyl]ethenone
CID 10731067
Cyclohexanone, 3-(dimethylphenylsilyl)-
CID 11053517
(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one
CID 12046570
2-[Tert-butyl(diphenyl)silyl]ethenone
CID 15440819
(E)-3-trimethylsilyl-1-triphenylsilylprop-2-en-1-one
CID 101115089
(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one
CID 134889844
Silane, methyl(1-oxopropyl)diphenyl-
CID 10106384
Silacyclohexan-4-one, 1,1-diphenyl-
CID 11129264
Bis[dimethyl(phenyl)silyl]methanone
CID 11808683
1-(4-Fluoropentyl)-1-phenylsilinan-4-one
CID 19593776
Silane, diphenylethoxy(3-oxobut-2-yloxy)-
CID 91736294

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione (CID 11792193) is 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione is C[Si](C)(c1ccccc1)c1c([Si](C)(C)c2ccccc2)c(=O)c1=O.
What is the InChIKey of 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione?
The InChIKey is ODGZVKZOXDFQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2Si2/c1-23(2,15-11-7-5-8-12-15)19-17(21)18(22)20(19)24(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3.
What are the key properties of 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione?
3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione has a molecular weight of 350.57 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 11792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).