8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione

C15H20O4Si — CID 14661878

IUPAC8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESCC(=O)C12C(=O)C=CC(=O)C1CC=CC2O[Si](C)(C)C
InChIInChI=1S/C15H20O4Si/c1-10(16)15-11(12(17)8-9-13(15)18)6-5-7-14(15)19-20(2,3)4/h5,7-9,11,14H,6H2,1-4H3
InChIKeyWGEDHUAZWYSVFP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.07
Rot. Bonds3

About 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione

8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione (PubChem CID 14661878) has the molecular formula C15H20O4Si and a molecular weight of 292.41 g/mol. Its IUPAC name is 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione.

Molecular Properties

Compound Name8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
PubChem CID14661878
Molecular FormulaC15H20O4Si
Molecular Weight292.41 g/mol
Exact Mass292.11
IUPAC Name8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESCC(=O)C12C(=O)C=CC(=O)C1CC=CC2O[Si](C)(C)C
InChIInChI=1S/C15H20O4Si/c1-10(16)15-11(12(17)8-9-13(15)18)6-5-7-14(15)19-20(2,3)4/h5,7-9,11,14H,6H2,1-4H3
InChIKeyWGEDHUAZWYSVFP-UHFFFAOYSA-N
XLogP2.07
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione?
The IUPAC name of 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione (CID 14661878) is 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione.
What is the SMILES notation for 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione?
The canonical SMILES for 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione is CC(=O)C12C(=O)C=CC(=O)C1CC=CC2O[Si](C)(C)C.
What is the InChIKey of 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione?
The InChIKey is WGEDHUAZWYSVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4Si/c1-10(16)15-11(12(17)8-9-13(15)18)6-5-7-14(15)19-20(2,3)4/h5,7-9,11,14H,6H2,1-4H3.
What are the key properties of 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione?
8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione has a molecular weight of 292.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione is sourced from PubChem (CID 14661878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).