methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate

C11H16O3 — CID 134973664

IUPACmethyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate
SMILESCOC(=O)CC1(C)CC(C)=C(C)C1=O
InChIInChI=1S/C11H16O3/c1-7-5-11(3,6-9(12)14-4)10(13)8(7)2/h5-6H2,1-4H3
InChIKeyITGXANUEJACWRG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds2

About methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate

methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate (PubChem CID 134973664) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate
PubChem CID134973664
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate
SMILESCOC(=O)CC1(C)CC(C)=C(C)C1=O
InChIInChI=1S/C11H16O3/c1-7-5-11(3,6-9(12)14-4)10(13)8(7)2/h5-6H2,1-4H3
InChIKeyITGXANUEJACWRG-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate 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

Methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate
CID 10103758
Methyl 2-(3,4-dimethyl-2-oxo-1-cyclopent-3-enyl)acetate
CID 10997663
Methyl 2-(3,4-diethyl-2-oxocyclopent-3-en-1-yl)acetate
CID 14199208
Ethyl 2-(1,4-dimethyl-2-oxocyclohex-3-en-1-yl)acetate
CID 85583620
Methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate
CID 101417802
Methyl 2-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)propanoate
CID 101417804
methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875235
methyl 2-ethyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875277
methyl 4-oxo-2-propan-2-yl-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875325
methyl (1R,5S)-2,5-ditert-butyl-4-oxocyclopent-2-ene-1-carboxylate
CID 134922680
Methyl 2-(3-ethyl-4-methyl-2-oxocyclopent-3-en-1-yl)acetate
CID 353899
(7,7-Dimethyl-1-oxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)acetic acid, methyl ester
CID 595966

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate?
The IUPAC name of methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate (CID 134973664) is methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate.
What is the SMILES notation for methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate?
The canonical SMILES for methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate is COC(=O)CC1(C)CC(C)=C(C)C1=O.
What is the InChIKey of methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate?
The InChIKey is ITGXANUEJACWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-5-11(3,6-9(12)14-4)10(13)8(7)2/h5-6H2,1-4H3.
What are the key properties of methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate?
methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)acetate is sourced from PubChem (CID 134973664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).