methyl 4-(2-oxocyclopentyl)butanoate

C10H16O3 — CID 558371

IUPACmethyl 4-(2-oxocyclopentyl)butanoate
SMILESCOC(=O)CCCC1CCCC1=O
InChIInChI=1S/C10H16O3/c1-13-10(12)7-3-5-8-4-2-6-9(8)11/h8H,2-7H2,1H3
InChIKeyBESBZXZFYCFLHQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds4

About methyl 4-(2-oxocyclopentyl)butanoate

methyl 4-(2-oxocyclopentyl)butanoate (PubChem CID 558371) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 4-(2-oxocyclopentyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-oxocyclopentyl)butanoate
PubChem CID558371
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 4-(2-oxocyclopentyl)butanoate
SMILESCOC(=O)CCCC1CCCC1=O
InChIInChI=1S/C10H16O3/c1-13-10(12)7-3-5-8-4-2-6-9(8)11/h8H,2-7H2,1H3
InChIKeyBESBZXZFYCFLHQ-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxocyclopentyl)butanoate?
The IUPAC name of methyl 4-(2-oxocyclopentyl)butanoate (CID 558371) is methyl 4-(2-oxocyclopentyl)butanoate.
What is the SMILES notation for methyl 4-(2-oxocyclopentyl)butanoate?
The canonical SMILES for methyl 4-(2-oxocyclopentyl)butanoate is COC(=O)CCCC1CCCC1=O.
What is the InChIKey of methyl 4-(2-oxocyclopentyl)butanoate?
The InChIKey is BESBZXZFYCFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-10(12)7-3-5-8-4-2-6-9(8)11/h8H,2-7H2,1H3.
What are the key properties of methyl 4-(2-oxocyclopentyl)butanoate?
methyl 4-(2-oxocyclopentyl)butanoate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxocyclopentyl)butanoate is sourced from PubChem (CID 558371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).