1-trimethylsilyloxyanthracene-9,10-dione

C17H16O3Si — CID 14923189

IUPAC1-trimethylsilyloxyanthracene-9,10-dione
SMILESC[Si](C)(C)Oc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H16O3Si/c1-21(2,3)20-14-10-6-9-13-15(14)17(19)12-8-5-4-7-11(12)16(13)18/h4-10H,1-3H3
InChIKeyKIEFZILFXQLPKL-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.68
Rot. Bonds2

About 1-trimethylsilyloxyanthracene-9,10-dione

1-trimethylsilyloxyanthracene-9,10-dione (PubChem CID 14923189) has the molecular formula C17H16O3Si and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-trimethylsilyloxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-trimethylsilyloxyanthracene-9,10-dione
PubChem CID14923189
Molecular FormulaC17H16O3Si
Molecular Weight296.40 g/mol
Exact Mass296.09
IUPAC Name1-trimethylsilyloxyanthracene-9,10-dione
SMILESC[Si](C)(C)Oc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H16O3Si/c1-21(2,3)20-14-10-6-9-13-15(14)17(19)12-8-5-4-7-11(12)16(13)18/h4-10H,1-3H3
InChIKeyKIEFZILFXQLPKL-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxyanthracene-9,10-dione?
The IUPAC name of 1-trimethylsilyloxyanthracene-9,10-dione (CID 14923189) is 1-trimethylsilyloxyanthracene-9,10-dione.
What is the SMILES notation for 1-trimethylsilyloxyanthracene-9,10-dione?
The canonical SMILES for 1-trimethylsilyloxyanthracene-9,10-dione is C[Si](C)(C)Oc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-trimethylsilyloxyanthracene-9,10-dione?
The InChIKey is KIEFZILFXQLPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3Si/c1-21(2,3)20-14-10-6-9-13-15(14)17(19)12-8-5-4-7-11(12)16(13)18/h4-10H,1-3H3.
What are the key properties of 1-trimethylsilyloxyanthracene-9,10-dione?
1-trimethylsilyloxyanthracene-9,10-dione has a molecular weight of 296.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyanthracene-9,10-dione is sourced from PubChem (CID 14923189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).