(11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione

C15H10O5 — CID 42618237

IUPAC(11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione
SMILESO=C1C[C@H]2OCC3=C(C(=O)c4ccccc4C3=O)[C@H]2O1
InChIInChI=1S/C15H10O5/c16-11-5-10-15(20-11)12-9(6-19-10)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,10,15H,5-6H2/t10-,15+/m1/s1
InChIKeyPQYMSDMYIOKZDF-BMIGLBTASA-N
MW270.24 g/mol
LogP1.08
Rot. Bonds

About (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione

(11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione (PubChem CID 42618237) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione.

Molecular Properties

Compound Name(11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione
PubChem CID42618237
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name(11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione
SMILESO=C1C[C@H]2OCC3=C(C(=O)c4ccccc4C3=O)[C@H]2O1
InChIInChI=1S/C15H10O5/c16-11-5-10-15(20-11)12-9(6-19-10)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,10,15H,5-6H2/t10-,15+/m1/s1
InChIKeyPQYMSDMYIOKZDF-BMIGLBTASA-N
XLogP1.08
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione?
The IUPAC name of (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione (CID 42618237) is (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione.
What is the SMILES notation for (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione?
The canonical SMILES for (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione is O=C1C[C@H]2OCC3=C(C(=O)c4ccccc4C3=O)[C@H]2O1.
What is the InChIKey of (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione?
The InChIKey is PQYMSDMYIOKZDF-BMIGLBTASA-N. The full InChI is InChI=1S/C15H10O5/c16-11-5-10-15(20-11)12-9(6-19-10)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,10,15H,5-6H2/t10-,15+/m1/s1.
What are the key properties of (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione?
(11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione has a molecular weight of 270.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione is sourced from PubChem (CID 42618237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).