(3-oxo-2-pentylcyclopentyl) pentanoate

C15H26O3 — CID 91315520

IUPAC(3-oxo-2-pentylcyclopentyl) pentanoate
SMILESCCCCCC1C(=O)CCC1OC(=O)CCCC
InChIInChI=1S/C15H26O3/c1-3-5-7-8-12-13(16)10-11-14(12)18-15(17)9-6-4-2/h12,14H,3-11H2,1-2H3
InChIKeyBVVWWBRFXWHZBW-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.65
Rot. Bonds8

About (3-oxo-2-pentylcyclopentyl) pentanoate

(3-oxo-2-pentylcyclopentyl) pentanoate (PubChem CID 91315520) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-oxo-2-pentylcyclopentyl) pentanoate.

Molecular Properties

Compound Name(3-oxo-2-pentylcyclopentyl) pentanoate
PubChem CID91315520
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3-oxo-2-pentylcyclopentyl) pentanoate
SMILESCCCCCC1C(=O)CCC1OC(=O)CCCC
InChIInChI=1S/C15H26O3/c1-3-5-7-8-12-13(16)10-11-14(12)18-15(17)9-6-4-2/h12,14H,3-11H2,1-2H3
InChIKeyBVVWWBRFXWHZBW-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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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Related Compounds

(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate
CID 140557115
butyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]heptanoate
CID 22797043
propan-2-yl 7-[(1R,2S)-2-hexyl-5-oxocyclopentyl]heptanoate
CID 22797039
ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 15452634
3-oxo-2-pentylcyclopentane-1-carboxylate
CID 21443730
pentyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 54471337
methyl 7-[(1S,2R)-2-(1-hydroxyoctyl)-5-oxocyclopentyl]heptanoate
CID 70635296
ethane-1,2-diol;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
CID 154944035
2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid
CID 172723721
ethane;3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CID 90787158
methyl 2-[(1S,2S)-2-butyl-3-oxocyclopentyl]acetate
CID 154944016
ethyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-2-oxoheptanoate
CID 54107228

Frequently Asked Questions

What is the IUPAC name of (3-oxo-2-pentylcyclopentyl) pentanoate?
The IUPAC name of (3-oxo-2-pentylcyclopentyl) pentanoate (CID 91315520) is (3-oxo-2-pentylcyclopentyl) pentanoate.
What is the SMILES notation for (3-oxo-2-pentylcyclopentyl) pentanoate?
The canonical SMILES for (3-oxo-2-pentylcyclopentyl) pentanoate is CCCCCC1C(=O)CCC1OC(=O)CCCC.
What is the InChIKey of (3-oxo-2-pentylcyclopentyl) pentanoate?
The InChIKey is BVVWWBRFXWHZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-5-7-8-12-13(16)10-11-14(12)18-15(17)9-6-4-2/h12,14H,3-11H2,1-2H3.
What are the key properties of (3-oxo-2-pentylcyclopentyl) pentanoate?
(3-oxo-2-pentylcyclopentyl) pentanoate has a molecular weight of 254.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2-pentylcyclopentyl) pentanoate is sourced from PubChem (CID 91315520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).