7,7-diethylbicyclo[3.2.0]heptan-6-one

C11H18O — CID 81422269

IUPAC7,7-diethylbicyclo[3.2.0]heptan-6-one
SMILESCCC1(CC)C(=O)C2CCCC21
InChIInChI=1S/C11H18O/c1-3-11(4-2)9-7-5-6-8(9)10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyPZFOLOKGBUMUSU-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.79
Rot. Bonds2

About 7,7-diethylbicyclo[3.2.0]heptan-6-one

7,7-diethylbicyclo[3.2.0]heptan-6-one (PubChem CID 81422269) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7,7-diethylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name7,7-diethylbicyclo[3.2.0]heptan-6-one
PubChem CID81422269
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7,7-diethylbicyclo[3.2.0]heptan-6-one
SMILESCCC1(CC)C(=O)C2CCCC21
InChIInChI=1S/C11H18O/c1-3-11(4-2)9-7-5-6-8(9)10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyPZFOLOKGBUMUSU-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of 7,7-diethylbicyclo[3.2.0]heptan-6-one (CID 81422269) is 7,7-diethylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 7,7-diethylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 7,7-diethylbicyclo[3.2.0]heptan-6-one is CCC1(CC)C(=O)C2CCCC21.
What is the InChIKey of 7,7-diethylbicyclo[3.2.0]heptan-6-one?
The InChIKey is PZFOLOKGBUMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-11(4-2)9-7-5-6-8(9)10(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 7,7-diethylbicyclo[3.2.0]heptan-6-one?
7,7-diethylbicyclo[3.2.0]heptan-6-one has a molecular weight of 166.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 81422269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).