5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one

C10H16O2 — CID 19871660

IUPAC5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCCC1C(=O)C(OC)=C(C)C1C
InChIInChI=1S/C10H16O2/c1-5-8-6(2)7(3)10(12-4)9(8)11/h6,8H,5H2,1-4H3
InChIKeyAEOYDDWMSQICMS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one

5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one (PubChem CID 19871660) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one
PubChem CID19871660
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCCC1C(=O)C(OC)=C(C)C1C
InChIInChI=1S/C10H16O2/c1-5-8-6(2)7(3)10(12-4)9(8)11/h6,8H,5H2,1-4H3
InChIKeyAEOYDDWMSQICMS-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one (CID 19871660) is 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one is CCC1C(=O)C(OC)=C(C)C1C.
What is the InChIKey of 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
The InChIKey is AEOYDDWMSQICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-6(2)7(3)10(12-4)9(8)11/h6,8H,5H2,1-4H3.
What are the key properties of 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-3,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 19871660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).