(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one

C10H16O2 — CID 15190336

IUPAC(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one
SMILESC[C@@]12CC[C@@H](C(=O)C1)[C@@](C)(O)C2
InChIInChI=1S/C10H16O2/c1-9-4-3-7(8(11)5-9)10(2,12)6-9/h7,12H,3-6H2,1-2H3/t7-,9+,10-/m0/s1
InChIKeyDHEYWVAVHLRASY-SFGNSQDASA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds

About (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one

(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one (PubChem CID 15190336) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one
PubChem CID15190336
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one
SMILESC[C@@]12CC[C@@H](C(=O)C1)[C@@](C)(O)C2
InChIInChI=1S/C10H16O2/c1-9-4-3-7(8(11)5-9)10(2,12)6-9/h7,12H,3-6H2,1-2H3/t7-,9+,10-/m0/s1
InChIKeyDHEYWVAVHLRASY-SFGNSQDASA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one?
The IUPAC name of (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one (CID 15190336) is (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one is C[C@@]12CC[C@@H](C(=O)C1)[C@@](C)(O)C2.
What is the InChIKey of (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one?
The InChIKey is DHEYWVAVHLRASY-SFGNSQDASA-N. The full InChI is InChI=1S/C10H16O2/c1-9-4-3-7(8(11)5-9)10(2,12)6-9/h7,12H,3-6H2,1-2H3/t7-,9+,10-/m0/s1.
What are the key properties of (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one?
(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 15190336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).