(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one

C13H18O — CID 101241760

IUPAC(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one
SMILESCC1=CC(=O)[C@@]23CCCC[C@@]12CCC3
InChIInChI=1S/C13H18O/c1-10-9-11(14)13-6-3-2-5-12(10,13)7-4-8-13/h9H,2-8H2,1H3/t12-,13+/m1/s1
InChIKeyGFDYZBARKDRQPC-OLZOCXBDSA-N
MW190.29 g/mol
LogP3.25
Rot. Bonds

About (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one

(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one (PubChem CID 101241760) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one.

Molecular Properties

Compound Name(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one
PubChem CID101241760
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one
SMILESCC1=CC(=O)[C@@]23CCCC[C@@]12CCC3
InChIInChI=1S/C13H18O/c1-10-9-11(14)13-6-3-2-5-12(10,13)7-4-8-13/h9H,2-8H2,1H3/t12-,13+/m1/s1
InChIKeyGFDYZBARKDRQPC-OLZOCXBDSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,6R)-2,9-dimethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 101241761
(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione
CID 1486161
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 15966563
(6R,9S,10R,11R,12S,15R)-4-methylhexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-3,7,13-trien-2-one
CID 98556963
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
tricyclo[4.4.3.01,6]tridec-3-ene-11,12,13-trione
CID 90482245
(1S,5S)-4,4-dimethyltricyclo[3.3.1.01,5]nonan-2-one
CID 14060945
8a-methyl-5,6,7,8-tetrahydroindolizin-1-one
CID 13047972
5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
CID 74326237
10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
CID 68723788
(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
CID 162935179

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
The IUPAC name of (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one (CID 101241760) is (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one.
What is the SMILES notation for (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
The canonical SMILES for (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one is CC1=CC(=O)[C@@]23CCCC[C@@]12CCC3.
What is the InChIKey of (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
The InChIKey is GFDYZBARKDRQPC-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O/c1-10-9-11(14)13-6-3-2-5-12(10,13)7-4-8-13/h9H,2-8H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one has a molecular weight of 190.29 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one is sourced from PubChem (CID 101241760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).