(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one

C13H18O2 — CID 10998193

IUPAC(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
SMILESCO[C@@]12CC[C@]3(CCCCC3=CC1=O)C2
InChIInChI=1S/C13H18O2/c1-15-13-7-6-12(9-13)5-3-2-4-10(12)8-11(13)14/h8H,2-7,9H2,1H3/t12-,13-/m1/s1
InChIKeyZYMHDHMZXLCWBZ-CHWSQXEVSA-N
MW206.28 g/mol
LogP2.62
Rot. Bonds1

About (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one

(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one (PubChem CID 10998193) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one.

Molecular Properties

Compound Name(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
PubChem CID10998193
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
SMILESCO[C@@]12CC[C@]3(CCCCC3=CC1=O)C2
InChIInChI=1S/C13H18O2/c1-15-13-7-6-12(9-13)5-3-2-4-10(12)8-11(13)14/h8H,2-7,9H2,1H3/t12-,13-/m1/s1
InChIKeyZYMHDHMZXLCWBZ-CHWSQXEVSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10798334
(1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10954390
(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10954729
(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 11137980
Cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
Cyclohexen-1-yl-(1-methoxycyclopentyl)methanone
CID 106652203
Cyclohepten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652257
Cyclohexen-1-yl-(1-methoxycyclohexyl)methanone
CID 106652258
Cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 106652279
Cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 113860345
1-(1-Methoxy-4,4-dimethylcyclohexyl)-3-methylbut-2-en-1-one
CID 116750265
1-Methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
CID 130030589

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
The IUPAC name of (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one (CID 10998193) is (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one.
What is the SMILES notation for (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
The canonical SMILES for (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one is CO[C@@]12CC[C@]3(CCCCC3=CC1=O)C2.
What is the InChIKey of (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
The InChIKey is ZYMHDHMZXLCWBZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13-7-6-12(9-13)5-3-2-4-10(12)8-11(13)14/h8H,2-7,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one has a molecular weight of 206.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one is sourced from PubChem (CID 10998193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).