(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione

C13H16O2 — CID 138975883

IUPAC(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione
SMILESCC1=C2C[C@H]3CCC2(CCC1=O)CC3=O
InChIInChI=1S/C13H16O2/c1-8-10-6-9-2-4-13(10,7-12(9)15)5-3-11(8)14/h9H,2-7H2,1H3/t9-,13?/m1/s1
InChIKeyRQDLAXZPKHDTIZ-CGCSKFHYSA-N
MW204.27 g/mol
LogP2.43
Rot. Bonds

About (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione

(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione (PubChem CID 138975883) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione.

Molecular Properties

Compound Name(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione
PubChem CID138975883
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione
SMILESCC1=C2C[C@H]3CCC2(CCC1=O)CC3=O
InChIInChI=1S/C13H16O2/c1-8-10-6-9-2-4-13(10,7-12(9)15)5-3-11(8)14/h9H,2-7H2,1H3/t9-,13?/m1/s1
InChIKeyRQDLAXZPKHDTIZ-CGCSKFHYSA-N
XLogP2.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione with MolForge

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Related Compounds

(4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 5316284
2,2,4,7a-tetramethyl-1,3,6,7-tetrahydroinden-5-one
CID 71398484
(4aR)-5-hydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 142265754
(4aR,7R)-1,4a-dimethyl-7-(2-methyloxiran-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11064354
[(2R,8aS)-5,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] acetate
CID 101267182
7-methyl-3a,4,5,6,9,10-hexahydro-3H-benzo[h][2]benzofuran-1,8-dione
CID 12935697
(4aS,7R)-7-(1,2-dihydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 57402130
7-(1,2-dihydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 73195069
methyl (2S)-2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propanoate
CID 14287744
(1S,3S,8aS)-5,8a-dimethyl-6-oxo-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalene-1-carbonitrile
CID 125113831
(1R,3S,8aS)-5,8a-dimethyl-6-oxo-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalene-1-carbonitrile
CID 125113830
diethyl 2-[(4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-methylpropanedioate
CID 102575600

Frequently Asked Questions

What is the IUPAC name of (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione?
The IUPAC name of (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione (CID 138975883) is (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione.
What is the SMILES notation for (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione?
The canonical SMILES for (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione is CC1=C2C[C@H]3CCC2(CCC1=O)CC3=O.
What is the InChIKey of (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione?
The InChIKey is RQDLAXZPKHDTIZ-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-10-6-9-2-4-13(10,7-12(9)15)5-3-11(8)14/h9H,2-7H2,1H3/t9-,13?/m1/s1.
What are the key properties of (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione?
(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione has a molecular weight of 204.27 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione is sourced from PubChem (CID 138975883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).