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

C12H16O2 — CID 10954390

IUPAC(1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one
SMILESO=C1C=C2CCCC[C@]23CC[C@@]1(O)C3
InChIInChI=1S/C12H16O2/c13-10-7-9-3-1-2-4-11(9)5-6-12(10,14)8-11/h7,14H,1-6,8H2/t11-,12-/m1/s1
InChIKeySQSNSMKXQMIGCY-VXGBXAGGSA-N
MW192.26 g/mol
LogP1.97
Rot. Bonds

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

(1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one (PubChem CID 10954390) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one.

Molecular Properties

Compound Name(1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one
PubChem CID10954390
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one
SMILESO=C1C=C2CCCC[C@]23CC[C@@]1(O)C3
InChIInChI=1S/C12H16O2/c13-10-7-9-3-1-2-4-11(9)5-6-12(10,14)8-11/h7,14H,1-6,8H2/t11-,12-/m1/s1
InChIKeySQSNSMKXQMIGCY-VXGBXAGGSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Flamvelutpenoid C
CID 57327792
Enokipodin F
CID 101560069
6-Hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one
CID 76511772
6-Hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one
CID 162927408
(3S,4aR,5S)-3-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-4H-naphthalen-2-one
CID 12111640
8-Hydroxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 85299310
(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10798334
(1R,8R)-8-hydroxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10877700
(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10954393
(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10998193
Cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652334
Cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
The IUPAC name of (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one (CID 10954390) is (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one.
What is the SMILES notation for (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
The canonical SMILES for (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one is O=C1C=C2CCCC[C@]23CC[C@@]1(O)C3.
What is the InChIKey of (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
The InChIKey is SQSNSMKXQMIGCY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2/c13-10-7-9-3-1-2-4-11(9)5-6-12(10,14)8-11/h7,14H,1-6,8H2/t11-,12-/m1/s1.
What are the key properties of (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one?
(1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one has a molecular weight of 192.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-9-hydroxytricyclo[7.2.1.01,6]dodec-6-en-8-one is sourced from PubChem (CID 10954390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).