propyl 2-(3-oxo-2-pentylcyclopentyl)acetate

C15H26O3 — CID 11184378

IUPACpropyl 2-(3-oxo-2-pentylcyclopentyl)acetate
SMILESCCCCCC1C(=O)CCC1CC(=O)OCCC
InChIInChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChIKeyIPDFPNNPBMREIF-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.51
Rot. Bonds8

About propyl 2-(3-oxo-2-pentylcyclopentyl)acetate

propyl 2-(3-oxo-2-pentylcyclopentyl)acetate (PubChem CID 11184378) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is propyl 2-(3-oxo-2-pentylcyclopentyl)acetate.

Molecular Properties

Compound Namepropyl 2-(3-oxo-2-pentylcyclopentyl)acetate
PubChem CID11184378
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namepropyl 2-(3-oxo-2-pentylcyclopentyl)acetate
SMILESCCCCCC1C(=O)CCC1CC(=O)OCCC
InChIInChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChIKeyIPDFPNNPBMREIF-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
The IUPAC name of propyl 2-(3-oxo-2-pentylcyclopentyl)acetate (CID 11184378) is propyl 2-(3-oxo-2-pentylcyclopentyl)acetate.
What is the SMILES notation for propyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
The canonical SMILES for propyl 2-(3-oxo-2-pentylcyclopentyl)acetate is CCCCCC1C(=O)CCC1CC(=O)OCCC.
What is the InChIKey of propyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
The InChIKey is IPDFPNNPBMREIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of propyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
propyl 2-(3-oxo-2-pentylcyclopentyl)acetate has a molecular weight of 254.37 g/mol, XLogP of 3.51, 8 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-pentylcyclopentyl)acetate is sourced from PubChem (CID 11184378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).