(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione

C15H12O5 — CID 11022018

IUPAC(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
SMILESC[C@@]12OC(=O)C[C@]1(C)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C15H12O5/c1-14-7-10(16)19-15(14,2)20-12-8-5-3-4-6-9(8)18-13(17)11(12)14/h3-6H,7H2,1-2H3/t14-,15+/m1/s1
InChIKeyGSTBTFLSFHXBBS-CABCVRRESA-N
MW272.26 g/mol
LogP2.11
Rot. Bonds

About (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione

(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione (PubChem CID 11022018) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione.

Molecular Properties

Compound Name(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
PubChem CID11022018
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
SMILESC[C@@]12OC(=O)C[C@]1(C)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C15H12O5/c1-14-7-10(16)19-15(14,2)20-12-8-5-3-4-6-9(8)18-13(17)11(12)14/h3-6H,7H2,1-2H3/t14-,15+/m1/s1
InChIKeyGSTBTFLSFHXBBS-CABCVRRESA-N
XLogP2.11
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione with MolForge

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Related Compounds

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2H-pyrano[3,2-c]chromen-5-one
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Frequently Asked Questions

What is the IUPAC name of (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione?
The IUPAC name of (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione (CID 11022018) is (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione.
What is the SMILES notation for (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione?
The canonical SMILES for (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione is C[C@@]12OC(=O)C[C@]1(C)c1c(c3ccccc3oc1=O)O2.
What is the InChIKey of (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione?
The InChIKey is GSTBTFLSFHXBBS-CABCVRRESA-N. The full InChI is InChI=1S/C15H12O5/c1-14-7-10(16)19-15(14,2)20-12-8-5-3-4-6-9(8)18-13(17)11(12)14/h3-6H,7H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione?
(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione has a molecular weight of 272.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione is sourced from PubChem (CID 11022018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).