methyl 2-(2-oxocyclopentyl)acetate

C8H12O3 — CID 11217375

IUPACmethyl 2-(2-oxocyclopentyl)acetate
SMILESCOC(=O)CC1CCCC1=O
InChIInChI=1S/C8H12O3/c1-11-8(10)5-6-3-2-4-7(6)9/h6H,2-5H2,1H3
InChIKeyFCUFQALZTPBXTC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.92
Rot. Bonds2

About methyl 2-(2-oxocyclopentyl)acetate

methyl 2-(2-oxocyclopentyl)acetate (PubChem CID 11217375) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-(2-oxocyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxocyclopentyl)acetate
PubChem CID11217375
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-(2-oxocyclopentyl)acetate
SMILESCOC(=O)CC1CCCC1=O
InChIInChI=1S/C8H12O3/c1-11-8(10)5-6-3-2-4-7(6)9/h6H,2-5H2,1H3
InChIKeyFCUFQALZTPBXTC-UHFFFAOYSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxocyclopentyl)acetate?
The IUPAC name of methyl 2-(2-oxocyclopentyl)acetate (CID 11217375) is methyl 2-(2-oxocyclopentyl)acetate.
What is the SMILES notation for methyl 2-(2-oxocyclopentyl)acetate?
The canonical SMILES for methyl 2-(2-oxocyclopentyl)acetate is COC(=O)CC1CCCC1=O.
What is the InChIKey of methyl 2-(2-oxocyclopentyl)acetate?
The InChIKey is FCUFQALZTPBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)5-6-3-2-4-7(6)9/h6H,2-5H2,1H3.
What are the key properties of methyl 2-(2-oxocyclopentyl)acetate?
methyl 2-(2-oxocyclopentyl)acetate has a molecular weight of 156.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxocyclopentyl)acetate is sourced from PubChem (CID 11217375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).