ethyl 3-cyclopentyl-4-oxoheptanoate

C14H24O3 — CID 18322313

IUPACethyl 3-cyclopentyl-4-oxoheptanoate
SMILESCCCC(=O)C(CC(=O)OCC)C1CCCC1
InChIInChI=1S/C14H24O3/c1-3-7-13(15)12(10-14(16)17-4-2)11-8-5-6-9-11/h11-12H,3-10H2,1-2H3
InChIKeyLCJIPFMNLHCCPT-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.12
Rot. Bonds7

About ethyl 3-cyclopentyl-4-oxoheptanoate

ethyl 3-cyclopentyl-4-oxoheptanoate (PubChem CID 18322313) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 3-cyclopentyl-4-oxoheptanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentyl-4-oxoheptanoate
PubChem CID18322313
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 3-cyclopentyl-4-oxoheptanoate
SMILESCCCC(=O)C(CC(=O)OCC)C1CCCC1
InChIInChI=1S/C14H24O3/c1-3-7-13(15)12(10-14(16)17-4-2)11-8-5-6-9-11/h11-12H,3-10H2,1-2H3
InChIKeyLCJIPFMNLHCCPT-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentyl-4-oxoheptanoate?
The IUPAC name of ethyl 3-cyclopentyl-4-oxoheptanoate (CID 18322313) is ethyl 3-cyclopentyl-4-oxoheptanoate.
What is the SMILES notation for ethyl 3-cyclopentyl-4-oxoheptanoate?
The canonical SMILES for ethyl 3-cyclopentyl-4-oxoheptanoate is CCCC(=O)C(CC(=O)OCC)C1CCCC1.
What is the InChIKey of ethyl 3-cyclopentyl-4-oxoheptanoate?
The InChIKey is LCJIPFMNLHCCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-7-13(15)12(10-14(16)17-4-2)11-8-5-6-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 3-cyclopentyl-4-oxoheptanoate?
ethyl 3-cyclopentyl-4-oxoheptanoate has a molecular weight of 240.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentyl-4-oxoheptanoate is sourced from PubChem (CID 18322313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).