6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one

C11H18O2 — CID 21407132

IUPAC6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one
SMILESCCOC1CC2C(=O)CC(C)C12C
InChIInChI=1S/C11H18O2/c1-4-13-10-6-8-9(12)5-7(2)11(8,10)3/h7-8,10H,4-6H2,1-3H3
InChIKeyFQQAGOAVPXHLDG-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.03
Rot. Bonds2

About 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one

6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one (PubChem CID 21407132) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one
PubChem CID21407132
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one
SMILESCCOC1CC2C(=O)CC(C)C12C
InChIInChI=1S/C11H18O2/c1-4-13-10-6-8-9(12)5-7(2)11(8,10)3/h7-8,10H,4-6H2,1-3H3
InChIKeyFQQAGOAVPXHLDG-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one (CID 21407132) is 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one is CCOC1CC2C(=O)CC(C)C12C.
What is the InChIKey of 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one?
The InChIKey is FQQAGOAVPXHLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-10-6-8-9(12)5-7(2)11(8,10)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one?
6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4,5-dimethylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 21407132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).