11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione

C12H10O5 — CID 20686293

IUPAC11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
SMILESO=C1OC(=O)C2C3OC(C12)C1C2C=CC(O2)C31
InChIInChI=1S/C12H10O5/c13-11-7-8(12(14)17-11)10-6-4-2-1-3(15-4)5(6)9(7)16-10/h1-10H
InChIKeyGFIMUFHQPCGCST-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.35
Rot. Bonds

About 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione

11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione (PubChem CID 20686293) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione.

Molecular Properties

Compound Name11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
PubChem CID20686293
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
SMILESO=C1OC(=O)C2C3OC(C12)C1C2C=CC(O2)C31
InChIInChI=1S/C12H10O5/c13-11-7-8(12(14)17-11)10-6-4-2-1-3(15-4)5(6)9(7)16-10/h1-10H
InChIKeyGFIMUFHQPCGCST-UHFFFAOYSA-N
XLogP-0.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione with MolForge

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Related Compounds

4-(Trifluoromethyl)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 118231086
4-Fluoro-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 118231092
(1S,5S,8R,9S,10R,11S,15R,16R)-3,13,17,18-tetraoxahexacyclo[7.6.1.11,10.15,8.05,16.011,15]octadec-6-ene-12,14-dione
CID 168350093
11,15-Dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 20686268
11,12-Dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 20686278
3-Hydroxypropyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 20686279
2-Hydroxyethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 20686280
11,12-Dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxylic acid
CID 20686295
4-Methyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 20686327
Tert-butyl 4-methyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 20686328
Tert-butyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 20686356
5-[(2-Methylpropan-2-yl)oxycarbonyl]-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 20686357

Frequently Asked Questions

What is the IUPAC name of 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione?
The IUPAC name of 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione (CID 20686293) is 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione.
What is the SMILES notation for 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione?
The canonical SMILES for 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione is O=C1OC(=O)C2C3OC(C12)C1C2C=CC(O2)C31.
What is the InChIKey of 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione?
The InChIKey is GFIMUFHQPCGCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-11-7-8(12(14)17-11)10-6-4-2-1-3(15-4)5(6)9(7)16-10/h1-10H.
What are the key properties of 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione?
11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione has a molecular weight of 234.21 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,15-trioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione is sourced from PubChem (CID 20686293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).