3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione

C22H28O3Si2 — CID 134832762

IUPAC3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione
SMILESCC[Si](CC)(CC)c1c2c(=O)c3ccccc3c(=O)c-2c([Si](C)(C)C)c1=O
InChIInChI=1S/C22H28O3Si2/c1-7-27(8-2,9-3)22-17-16(21(20(22)25)26(4,5)6)18(23)14-12-10-11-13-15(14)19(17)24/h10-13H,7-9H2,1-6H3
InChIKeyGFGAASLTYGUASX-UHFFFAOYSA-N
MW396.64 g/mol
LogP3.16
Rot. Bonds5

About 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione

3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione (PubChem CID 134832762) has the molecular formula C22H28O3Si2 and a molecular weight of 396.64 g/mol. Its IUPAC name is 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione.

Molecular Properties

Compound Name3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione
PubChem CID134832762
Molecular FormulaC22H28O3Si2
Molecular Weight396.64 g/mol
Exact Mass396.16
IUPAC Name3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione
SMILESCC[Si](CC)(CC)c1c2c(=O)c3ccccc3c(=O)c-2c([Si](C)(C)C)c1=O
InChIInChI=1S/C22H28O3Si2/c1-7-27(8-2,9-3)22-17-16(21(20(22)25)26(4,5)6)18(23)14-12-10-11-13-15(14)19(17)24/h10-13H,7-9H2,1-6H3
InChIKeyGFGAASLTYGUASX-UHFFFAOYSA-N
XLogP3.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.64
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione?
The IUPAC name of 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione (CID 134832762) is 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione.
What is the SMILES notation for 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione?
The canonical SMILES for 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione is CC[Si](CC)(CC)c1c2c(=O)c3ccccc3c(=O)c-2c([Si](C)(C)C)c1=O.
What is the InChIKey of 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione?
The InChIKey is GFGAASLTYGUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3Si2/c1-7-27(8-2,9-3)22-17-16(21(20(22)25)26(4,5)6)18(23)14-12-10-11-13-15(14)19(17)24/h10-13H,7-9H2,1-6H3.
What are the key properties of 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione?
3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione has a molecular weight of 396.64 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilyl-1-trimethylsilylcyclopenta[b]naphthalene-2,4,9-trione is sourced from PubChem (CID 134832762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).