3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one

C10H16O2 — CID 59913073

IUPAC3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one
SMILESCCOC1=C(C)C(=O)CC1(C)C
InChIInChI=1S/C10H16O2/c1-5-12-9-7(2)8(11)6-10(9,3)4/h5-6H2,1-4H3
InChIKeyFLYMIKKEIMADGT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one

3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one (PubChem CID 59913073) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one
PubChem CID59913073
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one
SMILESCCOC1=C(C)C(=O)CC1(C)C
InChIInChI=1S/C10H16O2/c1-5-12-9-7(2)8(11)6-10(9,3)4/h5-6H2,1-4H3
InChIKeyFLYMIKKEIMADGT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-2,4,4-trimethylcyclopent-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

Related Compounds

5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one
CID 13184849
3-ethoxy-5,5-dimethylcyclohex-3-ene-1,2-dione
CID 54369437
ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one
CID 175273412
(5R)-5-hydroxy-2,3,5-trimethylcyclohex-2-ene-1,4-dione
CID 170009983
4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one
CID 71439866
3-(15-hydroxypentadecyl)-2,4,4-trimethylcyclopent-2-en-1-one
CID 162724302
3-(12-hydroxydodecyl)-2,4,4-trimethylcyclopent-2-en-1-one
CID 162724276
3,3-dimethyl-5,6-dipropoxy-2H-inden-1-one
CID 79838210
ethyl 2,6,6-trimethyl-3-oxocyclohexene-1-carboxylate
CID 586472
2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione;methane
CID 143210953
1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267575
(4S)-4-hydroxy-3-(hydroxymethyl)-2,4-dimethylcyclopent-2-en-1-one
CID 130875375

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one?
The IUPAC name of 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one (CID 59913073) is 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one?
The canonical SMILES for 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one is CCOC1=C(C)C(=O)CC1(C)C.
What is the InChIKey of 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one?
The InChIKey is FLYMIKKEIMADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-12-9-7(2)8(11)6-10(9,3)4/h5-6H2,1-4H3.
What are the key properties of 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one?
3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 59913073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).