4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one

C10H16O2 — CID 14357181

IUPAC4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one
SMILESCC1CC(O)C2CC1(C)CC2=O
InChIInChI=1S/C10H16O2/c1-6-3-8(11)7-4-10(6,2)5-9(7)12/h6-8,11H,3-5H2,1-2H3
InChIKeySJFDWFJXDLUBIW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one

4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one (PubChem CID 14357181) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one
PubChem CID14357181
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one
SMILESCC1CC(O)C2CC1(C)CC2=O
InChIInChI=1S/C10H16O2/c1-6-3-8(11)7-4-10(6,2)5-9(7)12/h6-8,11H,3-5H2,1-2H3
InChIKeySJFDWFJXDLUBIW-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one?
The IUPAC name of 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one (CID 14357181) is 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one?
The canonical SMILES for 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one is CC1CC(O)C2CC1(C)CC2=O.
What is the InChIKey of 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one?
The InChIKey is SJFDWFJXDLUBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-3-8(11)7-4-10(6,2)5-9(7)12/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one?
4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 14357181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).