2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione

C22H24O2Si2 — CID 4867671

IUPAC2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione
SMILESC[Si](C)(C1=CC(=O)C([Si](C)(C)c2ccccc2)=CC1=O)c1ccccc1
InChIInChI=1S/C22H24O2Si2/c1-25(2,17-11-7-5-8-12-17)21-15-20(24)22(16-19(21)23)26(3,4)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyMIKRPTLUYBHXSR-UHFFFAOYSA-N
MW376.60 g/mol
LogP3.30
Rot. Bonds4

About 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione

2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 4867671) has the molecular formula C22H24O2Si2 and a molecular weight of 376.60 g/mol. Its IUPAC name is 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID4867671
Molecular FormulaC22H24O2Si2
Molecular Weight376.60 g/mol
Exact Mass376.13
IUPAC Name2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione
SMILESC[Si](C)(C1=CC(=O)C([Si](C)(C)c2ccccc2)=CC1=O)c1ccccc1
InChIInChI=1S/C22H24O2Si2/c1-25(2,17-11-7-5-8-12-17)21-15-20(24)22(16-19(21)23)26(3,4)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyMIKRPTLUYBHXSR-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Acetyltriphenylsilane
CID 5226386
2,5-Bis(phenylselanyl)cyclohexa-2,5-diene-1,4-dione
CID 145951941
(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one
CID 24867780
(R,E)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11531103
(R,Z)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11639588
2-[[4-[Dimethyl(2-oxoethenyl)silyl]phenyl]-dimethylsilyl]ethenone
CID 10731067
3,4-Bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione
CID 11792193
(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one
CID 12046570
(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
CID 14934034
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
Triphenylsilyl vinyl ketone
CID 15033005

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione (CID 4867671) is 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione is C[Si](C)(C1=CC(=O)C([Si](C)(C)c2ccccc2)=CC1=O)c1ccccc1.
What is the InChIKey of 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is MIKRPTLUYBHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2Si2/c1-25(2,17-11-7-5-8-12-17)21-15-20(24)22(16-19(21)23)26(3,4)18-13-9-6-10-14-18/h5-16H,1-4H3.
What are the key properties of 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione?
2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 376.60 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[dimethyl(phenyl)silyl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 4867671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).