methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate

C12H18O3 — CID 10608515

IUPACmethyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate
SMILESCCCC1CC(C)=C(CC(=O)OC)C1=O
InChIInChI=1S/C12H18O3/c1-4-5-9-6-8(2)10(12(9)14)7-11(13)15-3/h9H,4-7H2,1-3H3
InChIKeyRMPVCJGMBAQEMK-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.26
Rot. Bonds4

About methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate

methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate (PubChem CID 10608515) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate
PubChem CID10608515
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate
SMILESCCCC1CC(C)=C(CC(=O)OC)C1=O
InChIInChI=1S/C12H18O3/c1-4-5-9-6-8(2)10(12(9)14)7-11(13)15-3/h9H,4-7H2,1-3H3
InChIKeyRMPVCJGMBAQEMK-UHFFFAOYSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate
CID 171833232
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate
CID 14199209
methyl 2-[(1R,2S)-2-butyl-4-oxocyclopentyl]acetate
CID 54441543
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
methyl 2-(4-hexyl-2,5-dioxofuran-3-yl)acetate
CID 170989040
methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate
CID 130853662
diethyl 2-[(1S,4S)-3-oxo-4-propylcyclohexyl]propanedioate
CID 129387947
methyl 4-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 174899063
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 3-methyl-3-(3-oxocyclobutyl)butanoate
CID 131864811
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate (CID 10608515) is methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate is CCCC1CC(C)=C(CC(=O)OC)C1=O.
What is the InChIKey of methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate?
The InChIKey is RMPVCJGMBAQEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-5-9-6-8(2)10(12(9)14)7-11(13)15-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate?
methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate has a molecular weight of 210.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate is sourced from PubChem (CID 10608515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).