2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one

C13H18O2 — CID 163723701

IUPAC2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one
SMILESCC12CCCC(=O)C1(O)C1C=CC2CC1
InChIInChI=1S/C13H18O2/c1-12-8-2-3-11(14)13(12,15)10-6-4-9(12)5-7-10/h4,6,9-10,15H,2-3,5,7-8H2,1H3
InChIKeyKTUKAJQIDNRDHS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.07
Rot. Bonds

About 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one

2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one (PubChem CID 163723701) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one.

Molecular Properties

Compound Name2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one
PubChem CID163723701
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one
SMILESCC12CCCC(=O)C1(O)C1C=CC2CC1
InChIInChI=1S/C13H18O2/c1-12-8-2-3-11(14)13(12,15)10-6-4-9(12)5-7-10/h4,6,9-10,15H,2-3,5,7-8H2,1H3
InChIKeyKTUKAJQIDNRDHS-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one?
The IUPAC name of 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one (CID 163723701) is 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one.
What is the SMILES notation for 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one?
The canonical SMILES for 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one is CC12CCCC(=O)C1(O)C1C=CC2CC1.
What is the InChIKey of 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one?
The InChIKey is KTUKAJQIDNRDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-12-8-2-3-11(14)13(12,15)10-6-4-9(12)5-7-10/h4,6,9-10,15H,2-3,5,7-8H2,1H3.
What are the key properties of 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one?
2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one has a molecular weight of 206.28 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-methyltricyclo[6.2.2.02,7]dodec-9-en-3-one is sourced from PubChem (CID 163723701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).