8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane

C29H36O9 — CID 177059935

About 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane

8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane (PubChem CID 177059935) has the molecular formula C29H36O9 and a molecular weight of 528.60 g/mol. Its IUPAC name is 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane.

Molecular Properties

• Compound Name: 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane
• PubChem CID: 177059935
• Molecular Formula: C29H36O9
• Molecular Weight: 528.60 g/mol
• Exact Mass: 528.24
• IUPAC Name: 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane
• SMILES: C=C1CCCCO1.CC(=O)C1CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(O)c1C3=O.CO.COC
• InChI: InChI=1S/C20H16O6.C6H10O.C2H6O.CH4O/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;1-6-4-2-3-5-7-6;1-3-2;1-2/h2-4,9,22-23,25H,5-7H2,1H3;1-5H2;1-2H3;2H,1H3
• InChIKey: NXMJTCWEJMWGQT-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 150.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.60
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane?

The IUPAC name of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane (CID 177059935) is 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane.

What is the SMILES notation for 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane?

The canonical SMILES for 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane is C=C1CCCCO1.CC(=O)C1CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(O)c1C3=O.CO.COC.

What is the InChIKey of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane?

The InChIKey is NXMJTCWEJMWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6.C6H10O.C2H6O.CH4O/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;1-6-4-2-3-5-7-6;1-3-2;1-2/h2-4,9,22-23,25H,5-7H2,1H3;1-5H2;1-2H3;2H,1H3.

What are the key properties of 8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane?

8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methanol;methoxymethane;2-methylideneoxane has a molecular weight of 528.60 g/mol, XLogP of 3.84, 1 rotatable bonds, 4 hydrogen bond donors, and 9 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;methanol;methoxymethane;2-methylideneoxane is sourced from PubChem (CID 177059935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).