2-trimethylsilylcyclohexa-2,5-diene-1,4-dione

C9H12O2Si — CID 596741

IUPAC2-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESC[Si](C)(C)C1=CC(=O)C=CC1=O
InChIInChI=1S/C9H12O2Si/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6H,1-3H3
InChIKeyXVFWLINMZWDPFX-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.50
Rot. Bonds1

About 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione

2-trimethylsilylcyclohexa-2,5-diene-1,4-dione (PubChem CID 596741) has the molecular formula C9H12O2Si and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-trimethylsilylcyclohexa-2,5-diene-1,4-dione
PubChem CID596741
Molecular FormulaC9H12O2Si
Molecular Weight180.28 g/mol
Exact Mass180.06
IUPAC Name2-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESC[Si](C)(C)C1=CC(=O)C=CC1=O
InChIInChI=1S/C9H12O2Si/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6H,1-3H3
InChIKeyXVFWLINMZWDPFX-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione (CID 596741) is 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione is C[Si](C)(C)C1=CC(=O)C=CC1=O.
What is the InChIKey of 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is XVFWLINMZWDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2Si/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6H,1-3H3.
What are the key properties of 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
2-trimethylsilylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 180.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 596741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).