3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione

C13H10O6 — CID 54769974

IUPAC3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
SMILESO=C1CCOc2c3c(c4c(c21)OCO4)C(=O)CCO3
InChIInChI=1S/C13H10O6/c14-6-1-3-16-10-8(6)12-13(19-5-18-12)9-7(15)2-4-17-11(9)10/h1-5H2
InChIKeyIDZPMOCHIDXCIS-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.35
Rot. Bonds

About 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione

3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione (PubChem CID 54769974) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione.

Molecular Properties

Compound Name3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
PubChem CID54769974
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
SMILESO=C1CCOc2c3c(c4c(c21)OCO4)C(=O)CCO3
InChIInChI=1S/C13H10O6/c14-6-1-3-16-10-8(6)12-13(19-5-18-12)9-7(15)2-4-17-11(9)10/h1-5H2
InChIKeyIDZPMOCHIDXCIS-UHFFFAOYSA-N
XLogP1.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione?
The IUPAC name of 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione (CID 54769974) is 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione.
What is the SMILES notation for 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione?
The canonical SMILES for 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione is O=C1CCOc2c3c(c4c(c21)OCO4)C(=O)CCO3.
What is the InChIKey of 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione?
The InChIKey is IDZPMOCHIDXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c14-6-1-3-16-10-8(6)12-13(19-5-18-12)9-7(15)2-4-17-11(9)10/h1-5H2.
What are the key properties of 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione?
3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione has a molecular weight of 262.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione is sourced from PubChem (CID 54769974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).