(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione

C11H12O3 — CID 98163565

IUPAC(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione
SMILESO=C1OC(=O)[C@]23CC=CC[C@@]12CCC3
InChIInChI=1S/C11H12O3/c12-8-10-4-1-2-5-11(10,7-3-6-10)9(13)14-8/h1-2H,3-7H2/t10-,11-/m1/s1
InChIKeyWDODBMCCVSCIFF-GHMZBOCLSA-N
MW192.21 g/mol
LogP1.58
Rot. Bonds

About (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione

(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione (PubChem CID 98163565) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione.

Molecular Properties

Compound Name(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione
PubChem CID98163565
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione
SMILESO=C1OC(=O)[C@]23CC=CC[C@@]12CCC3
InChIInChI=1S/C11H12O3/c12-8-10-4-1-2-5-11(10,7-3-6-10)9(13)14-8/h1-2H,3-7H2/t10-,11-/m1/s1
InChIKeyWDODBMCCVSCIFF-GHMZBOCLSA-N
XLogP1.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.58
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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Related Compounds

826-62-0
CID 13223
Methyl nadic anhydride
CID 32802
Carbic anhydride
CID 2723766
Himic anhydride
CID 637794
3a-Methyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
CID 281947
Methylnadic anhydride
CID 6602188
4'-Oxaspiro(cyclopropane-1,10'-tricyclo(5.2.1.0,2,6)decan)-8'-ene-3',5'-dione
CID 428883
3a,4,7,7a-Tetrahydro-5-methyl-4,7-methanoisobenzofuran-1,3-dione
CID 520186
Bicyclo(4.2.2)dec-7-ene-9,10-dicarboxylic anhydride
CID 5238358
(2r,6s)-4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 75977
Methyl-5-Norbornene-2,3-Dicarboxylic Anhydrid
CID 16211650
3a,4,7,7a-Tetrahydro-8-methyl-4,7-methanoisobenzofuran-1,3-dione
CID 20624593

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione?
The IUPAC name of (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione (CID 98163565) is (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione.
What is the SMILES notation for (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione?
The canonical SMILES for (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione is O=C1OC(=O)[C@]23CC=CC[C@@]12CCC3.
What is the InChIKey of (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione?
The InChIKey is WDODBMCCVSCIFF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12O3/c12-8-10-4-1-2-5-11(10,7-3-6-10)9(13)14-8/h1-2H,3-7H2/t10-,11-/m1/s1.
What are the key properties of (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione?
(1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione has a molecular weight of 192.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-ene-7,9-dione is sourced from PubChem (CID 98163565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).