8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

C20H16O6 — CID 23349623

IUPAC8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
SMILESCC(=O)C1CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C20H16O6/c1-8(21)9-5-6-10-12(7-9)19(25)15-16(17(10)23)20(26)14-11(18(15)24)3-2-4-13(14)22/h2-4,9,22-23,25H,5-7H2,1H3
InChIKeyKTTBCKVXTWJLIR-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.27
Rot. Bonds1

About 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione (PubChem CID 23349623) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione.

Molecular Properties

Compound Name8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
PubChem CID23349623
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
SMILESCC(=O)C1CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C20H16O6/c1-8(21)9-5-6-10-12(7-9)19(25)15-16(17(10)23)20(26)14-11(18(15)24)3-2-4-13(14)22/h2-4,9,22-23,25H,5-7H2,1H3
InChIKeyKTTBCKVXTWJLIR-UHFFFAOYSA-N
XLogP2.27
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione?
The IUPAC name of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione (CID 23349623) is 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione.
What is the SMILES notation for 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione?
The canonical SMILES for 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione is CC(=O)C1CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(O)c1C3=O.
What is the InChIKey of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione?
The InChIKey is KTTBCKVXTWJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-8(21)9-5-6-10-12(7-9)19(25)15-16(17(10)23)20(26)14-11(18(15)24)3-2-4-13(14)22/h2-4,9,22-23,25H,5-7H2,1H3.
What are the key properties of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione?
8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione has a molecular weight of 352.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione is sourced from PubChem (CID 23349623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).