5-ethoxy-2,5-dimethylcyclopent-2-en-1-one

C9H14O2 — CID 135014431

IUPAC5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
SMILESCCOC1(C)CC=C(C)C1=O
InChIInChI=1S/C9H14O2/c1-4-11-9(3)6-5-7(2)8(9)10/h5H,4,6H2,1-3H3
InChIKeyREDJYNSJODELFH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one

5-ethoxy-2,5-dimethylcyclopent-2-en-1-one (PubChem CID 135014431) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
PubChem CID135014431
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
SMILESCCOC1(C)CC=C(C)C1=O
InChIInChI=1S/C9H14O2/c1-4-11-9(3)6-5-7(2)8(9)10/h5H,4,6H2,1-3H3
InChIKeyREDJYNSJODELFH-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one (CID 135014431) is 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one is CCOC1(C)CC=C(C)C1=O.
What is the InChIKey of 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
The InChIKey is REDJYNSJODELFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-11-9(3)6-5-7(2)8(9)10/h5H,4,6H2,1-3H3.
What are the key properties of 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
5-ethoxy-2,5-dimethylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 135014431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).