(1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione

C11H10O3 — CID 129016270

IUPAC(1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione
SMILESO=C1OC(=O)[C@H]2C1C1CCC13C=CC23
InChIInChI=1S/C11H10O3/c12-9-7-5-1-3-11(5)4-2-6(11)8(7)10(13)14-9/h1,3,5-8H,2,4H2/t5?,6?,7-,8?,11?/m1/s1
InChIKeyOWOIWMZXQDCWKQ-OVKREYHNSA-N
MW190.20 g/mol
LogP0.90
Rot. Bonds

About (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione

(1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione (PubChem CID 129016270) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione.

Molecular Properties

Compound Name(1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione
PubChem CID129016270
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione
SMILESO=C1OC(=O)[C@H]2C1C1CCC13C=CC23
InChIInChI=1S/C11H10O3/c12-9-7-5-1-3-11(5)4-2-6(11)8(7)10(13)14-9/h1,3,5-8H,2,4H2/t5?,6?,7-,8?,11?/m1/s1
InChIKeyOWOIWMZXQDCWKQ-OVKREYHNSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione?
The IUPAC name of (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione (CID 129016270) is (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione.
What is the SMILES notation for (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione?
The canonical SMILES for (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione is O=C1OC(=O)[C@H]2C1C1CCC13C=CC23.
What is the InChIKey of (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione?
The InChIKey is OWOIWMZXQDCWKQ-OVKREYHNSA-N. The full InChI is InChI=1S/C11H10O3/c12-9-7-5-1-3-11(5)4-2-6(11)8(7)10(13)14-9/h1,3,5-8H,2,4H2/t5?,6?,7-,8?,11?/m1/s1.
What are the key properties of (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione?
(1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione has a molecular weight of 190.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-11-oxatetracyclo[7.3.0.02,5.05,8]dodec-3-ene-10,12-dione is sourced from PubChem (CID 129016270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).