(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one

C13H18O — CID 11424065

IUPAC(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
SMILESCC1CCC2=C(C1)[C@@H]1CC[C@H]2C(=O)C1
InChIInChI=1S/C13H18O/c1-8-2-4-10-11-5-3-9(7-13(11)14)12(10)6-8/h8-9,11H,2-7H2,1H3/t8?,9-,11-/m1/s1
InChIKeyVCUOEACDARKBHJ-HOGWDWRMSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds

About (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one

(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one (PubChem CID 11424065) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one.

Molecular Properties

Compound Name(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
PubChem CID11424065
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
SMILESCC1CCC2=C(C1)[C@@H]1CC[C@H]2C(=O)C1
InChIInChI=1S/C13H18O/c1-8-2-4-10-11-5-3-9(7-13(11)14)12(10)6-8/h8-9,11H,2-7H2,1H3/t8?,9-,11-/m1/s1
InChIKeyVCUOEACDARKBHJ-HOGWDWRMSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
The IUPAC name of (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one (CID 11424065) is (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one.
What is the SMILES notation for (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
The canonical SMILES for (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one is CC1CCC2=C(C1)[C@@H]1CC[C@H]2C(=O)C1.
What is the InChIKey of (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
The InChIKey is VCUOEACDARKBHJ-HOGWDWRMSA-N. The full InChI is InChI=1S/C13H18O/c1-8-2-4-10-11-5-3-9(7-13(11)14)12(10)6-8/h8-9,11H,2-7H2,1H3/t8?,9-,11-/m1/s1.
What are the key properties of (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one has a molecular weight of 190.29 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one is sourced from PubChem (CID 11424065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).