(11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione

C19H16O5 — CID 42618243

IUPAC(11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione
SMILESO=C1C[C@H]2OC3(CCCC3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1
InChIInChI=1S/C19H16O5/c20-13-9-12-18(23-13)14-15(19(24-12)7-3-4-8-19)17(22)11-6-2-1-5-10(11)16(14)21/h1-2,5-6,12,18H,3-4,7-9H2/t12-,18+/m1/s1
InChIKeyXCZHOTOHALTCOW-XIKOKIGWSA-N
MW324.33 g/mol
LogP2.39
Rot. Bonds

About (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione

(11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione (PubChem CID 42618243) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione.

Molecular Properties

Compound Name(11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione
PubChem CID42618243
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione
SMILESO=C1C[C@H]2OC3(CCCC3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1
InChIInChI=1S/C19H16O5/c20-13-9-12-18(23-13)14-15(19(24-12)7-3-4-8-19)17(22)11-6-2-1-5-10(11)16(14)21/h1-2,5-6,12,18H,3-4,7-9H2/t12-,18+/m1/s1
InChIKeyXCZHOTOHALTCOW-XIKOKIGWSA-N
XLogP2.39
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione?
The IUPAC name of (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione (CID 42618243) is (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione.
What is the SMILES notation for (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione?
The canonical SMILES for (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione is O=C1C[C@H]2OC3(CCCC3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1.
What is the InChIKey of (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione?
The InChIKey is XCZHOTOHALTCOW-XIKOKIGWSA-N. The full InChI is InChI=1S/C19H16O5/c20-13-9-12-18(23-13)14-15(19(24-12)7-3-4-8-19)17(22)11-6-2-1-5-10(11)16(14)21/h1-2,5-6,12,18H,3-4,7-9H2/t12-,18+/m1/s1.
What are the key properties of (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione?
(11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione has a molecular weight of 324.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-spiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,1'-cyclopentane]-2,9,13-trione is sourced from PubChem (CID 42618243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).