6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one

C11H16O2 — CID 117069932

IUPAC6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one
SMILESC=CC1(O)CC2(C)CCC1C(=O)C2
InChIInChI=1S/C11H16O2/c1-3-11(13)7-10(2)5-4-8(11)9(12)6-10/h3,8,13H,1,4-7H2,2H3
InChIKeyNOKXRMNZKTVGOU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.68
Rot. Bonds1

About 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one

6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one (PubChem CID 117069932) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one
PubChem CID117069932
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one
SMILESC=CC1(O)CC2(C)CCC1C(=O)C2
InChIInChI=1S/C11H16O2/c1-3-11(13)7-10(2)5-4-8(11)9(12)6-10/h3,8,13H,1,4-7H2,2H3
InChIKeyNOKXRMNZKTVGOU-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.68
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 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one (CID 117069932) is 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one is C=CC1(O)CC2(C)CCC1C(=O)C2.
What is the InChIKey of 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one?
The InChIKey is NOKXRMNZKTVGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-11(13)7-10(2)5-4-8(11)9(12)6-10/h3,8,13H,1,4-7H2,2H3.
What are the key properties of 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one?
6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 117069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).