propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate

C15H24O3 — CID 15452639

IUPACpropyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C/CC1C(=O)CCC1CC(=O)OCCC
InChIInChI=1S/C15H24O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5+
InChIKeyLIPVNZXTAXSVQF-AATRIKPKSA-N
MW252.35 g/mol
LogP3.28
Rot. Bonds7

About propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate

propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate (PubChem CID 15452639) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namepropyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
PubChem CID15452639
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namepropyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C/CC1C(=O)CCC1CC(=O)OCCC
InChIInChI=1S/C15H24O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5+
InChIKeyLIPVNZXTAXSVQF-AATRIKPKSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate?
The IUPAC name of propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate (CID 15452639) is propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate.
What is the SMILES notation for propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate?
The canonical SMILES for propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate is CC/C=C/CC1C(=O)CCC1CC(=O)OCCC.
What is the InChIKey of propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate?
The InChIKey is LIPVNZXTAXSVQF-AATRIKPKSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5+.
What are the key properties of propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate?
propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate has a molecular weight of 252.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate is sourced from PubChem (CID 15452639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).