ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate

C17H30O3 — CID 22797030

IUPACethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
SMILESCCOC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1C(C)C
InChIInChI=1S/C17H30O3/c1-4-20-17(19)10-8-6-5-7-9-15-14(13(2)3)11-12-16(15)18/h13-15H,4-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyRKOCAYBZPJQKIO-HUUCEWRRSA-N
MW282.42 g/mol
LogP4.14
Rot. Bonds9

About ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate

ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate (PubChem CID 22797030) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
PubChem CID22797030
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Nameethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
SMILESCCOC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1C(C)C
InChIInChI=1S/C17H30O3/c1-4-20-17(19)10-8-6-5-7-9-15-14(13(2)3)11-12-16(15)18/h13-15H,4-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyRKOCAYBZPJQKIO-HUUCEWRRSA-N
XLogP4.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate with MolForge

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Related Compounds

ethyl 7-(2-oxo-5-propylsulfanylcyclopentyl)heptanoate
CID 54393918
methyl 7-[(1S,2R)-2-(1-hydroxyoctyl)-5-oxocyclopentyl]heptanoate
CID 70635296
ethyl 7-[(1R,2S)-2-[3-[(2-methylpropan-2-yl)oxy]octyl]-5-oxocyclopentyl]heptanoate
CID 86732938
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
2-(2-butyl-3-oxocyclopentyl)propanoic acid
CID 154943990
diethyl icosanedioate
CID 5058538
ethyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-2-oxoheptanoate
CID 54107228
methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate
CID 12997158
diethyl hexanedioate
CID 160747628
butyl 7-[(1R,2S)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoate
CID 22796890

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate?
The IUPAC name of ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate (CID 22797030) is ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate.
What is the SMILES notation for ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate?
The canonical SMILES for ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate is CCOC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1C(C)C.
What is the InChIKey of ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate?
The InChIKey is RKOCAYBZPJQKIO-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30O3/c1-4-20-17(19)10-8-6-5-7-9-15-14(13(2)3)11-12-16(15)18/h13-15H,4-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate?
ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate has a molecular weight of 282.42 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate is sourced from PubChem (CID 22797030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).