(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one

C13H18O2 — CID 10798334

IUPAC(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one
SMILESCC1CCCC2=CC(=O)[C@@]3(O)CC[C@]21C3
InChIInChI=1S/C13H18O2/c1-9-3-2-4-10-7-11(14)13(15)6-5-12(9,10)8-13/h7,9,15H,2-6,8H2,1H3/t9?,12-,13-/m1/s1
InChIKeyBWCPJHLWTRMAKD-VFVWQQSLSA-N
MW206.28 g/mol
LogP2.22
Rot. Bonds

About (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one

(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one (PubChem CID 10798334) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one.

Molecular Properties

Compound Name(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one
PubChem CID10798334
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one
SMILESCC1CCCC2=CC(=O)[C@@]3(O)CC[C@]21C3
InChIInChI=1S/C13H18O2/c1-9-3-2-4-10-7-11(14)13(15)6-5-12(9,10)8-13/h7,9,15H,2-6,8H2,1H3/t9?,12-,13-/m1/s1
InChIKeyBWCPJHLWTRMAKD-VFVWQQSLSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one?
The IUPAC name of (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one (CID 10798334) is (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one.
What is the SMILES notation for (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one?
The canonical SMILES for (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one is CC1CCCC2=CC(=O)[C@@]3(O)CC[C@]21C3.
What is the InChIKey of (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one?
The InChIKey is BWCPJHLWTRMAKD-VFVWQQSLSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-3-2-4-10-7-11(14)13(15)6-5-12(9,10)8-13/h7,9,15H,2-6,8H2,1H3/t9?,12-,13-/m1/s1.
What are the key properties of (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one?
(1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one has a molecular weight of 206.28 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-9-hydroxy-2-methyltricyclo[7.2.1.01,6]dodec-6-en-8-one is sourced from PubChem (CID 10798334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).