(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione

C11H10O3 — CID 140813597

IUPAC(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione
SMILESO=C1C[C@]23C=CC=C[C@@]2(C1)C(=O)OC3
InChIInChI=1S/C11H10O3/c12-8-5-10-3-1-2-4-11(10,6-8)9(13)14-7-10/h1-4H,5-7H2/t10-,11+/m0/s1
InChIKeyMOVGIMCYXUXRTH-WDEREUQCSA-N
MW190.20 g/mol
LogP1.00
Rot. Bonds

About (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione

(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione (PubChem CID 140813597) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione.

Molecular Properties

Compound Name(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione
PubChem CID140813597
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione
SMILESO=C1C[C@]23C=CC=C[C@@]2(C1)C(=O)OC3
InChIInChI=1S/C11H10O3/c12-8-5-10-3-1-2-4-11(10,6-8)9(13)14-7-10/h1-4H,5-7H2/t10-,11+/m0/s1
InChIKeyMOVGIMCYXUXRTH-WDEREUQCSA-N
XLogP1.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione with MolForge

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Related Compounds

8-Oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione
CID 14002667
(1R,6S)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione
CID 140813591
(1S,6S)-8-oxatricyclo[4.3.3.01,6]dodec-4-ene-7,11-dione
CID 140813592
(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,11-dione
CID 140813594
(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-4-ene-7,11-dione
CID 140813595
(1R,6S)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,11-dione
CID 140813598
(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
CID 175054073
(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-en-7-one
CID 10773668
(3aS,9R,9aS)-9-ethenyl-3,3a,4,5,8,9-hexahydrocyclopenta[h][2]benzofuran-1,7-dione
CID 11206733
(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
CID 12992053
(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione
CID 14002668
(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione
CID 98163565

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione?
The IUPAC name of (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione (CID 140813597) is (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione.
What is the SMILES notation for (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione?
The canonical SMILES for (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione is O=C1C[C@]23C=CC=C[C@@]2(C1)C(=O)OC3.
What is the InChIKey of (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione?
The InChIKey is MOVGIMCYXUXRTH-WDEREUQCSA-N. The full InChI is InChI=1S/C11H10O3/c12-8-5-10-3-1-2-4-11(10,6-8)9(13)14-7-10/h1-4H,5-7H2/t10-,11+/m0/s1.
What are the key properties of (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione?
(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione has a molecular weight of 190.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-8-oxatricyclo[4.3.3.01,6]dodeca-2,4-diene-7,11-dione is sourced from PubChem (CID 140813597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).