(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one

C13H18O2 — CID 10889056

IUPAC(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one
SMILESCO[C@]12C=C3CCCC[C@@]3(CC1)CC2=O
InChIInChI=1S/C13H18O2/c1-15-13-7-6-12(9-11(13)14)5-3-2-4-10(12)8-13/h8H,2-7,9H2,1H3/t12-,13+/m1/s1
InChIKeyWHLHMIOKLFUKFT-OLZOCXBDSA-N
MW206.28 g/mol
LogP2.62
Rot. Bonds1

About (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one

(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one (PubChem CID 10889056) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one.

Molecular Properties

Compound Name(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one
PubChem CID10889056
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one
SMILESCO[C@]12C=C3CCCC[C@@]3(CC1)CC2=O
InChIInChI=1S/C13H18O2/c1-15-13-7-6-12(9-11(13)14)5-3-2-4-10(12)8-13/h8H,2-7,9H2,1H3/t12-,13+/m1/s1
InChIKeyWHLHMIOKLFUKFT-OLZOCXBDSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-one
CID 12614041
Bicyclo[2.2.2]oct-5-en-2-one, 1-methoxy-4-(2-methoxyethyl)-
CID 579769
1-Methoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
CID 12614044
7-Methoxytricyclo[5.2.2.01,5]undec-5-en-8-one
CID 14270735
2-Methoxy-5-methyl-2-(6-methylhept-2-en-2-yl)cyclohexan-1-one
CID 91044217
Cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone;3-ethyl-1-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)heptan-1-one;1-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)nonan-1-one
CID 174733487
Cyclohexyl-(1-methoxycyclohexa-2,5-dien-1-yl)methanone;1-(1-methoxy-2-methylcyclohexa-2,5-dien-1-yl)-3,3-dimethylbutan-1-one
CID 174733602
(1R,7S)-7-methoxy-2-methyltricyclo[5.2.2.01,5]undec-5-en-8-one
CID 10058817
(1S,4S)-1-methoxy-3,3-bis(prop-2-enyl)bicyclo[2.2.2]oct-5-en-2-one
CID 10889786
(1R,4S)-1-methoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
CID 10953888
(1S,3S,4S)-1-methoxy-3-methyl-3-prop-2-enylbicyclo[2.2.2]oct-5-en-2-one
CID 11030999
(1R,3S,4S)-3-butyl-1-methoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
CID 11074981

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one?
The IUPAC name of (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one (CID 10889056) is (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one.
What is the SMILES notation for (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one?
The canonical SMILES for (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one is CO[C@]12C=C3CCCC[C@@]3(CC1)CC2=O.
What is the InChIKey of (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one?
The InChIKey is WHLHMIOKLFUKFT-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13-7-6-12(9-11(13)14)5-3-2-4-10(12)8-13/h8H,2-7,9H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one?
(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-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,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one is sourced from PubChem (CID 10889056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).