methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate

C15H24O4 — CID 12997158

IUPACmethyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate
SMILESCOC(=O)CCCCCCC1C(=O)CCC1C(C)=O
InChIInChI=1S/C15H24O4/c1-11(16)12-9-10-14(17)13(12)7-5-3-4-6-8-15(18)19-2/h12-13H,3-10H2,1-2H3
InChIKeyJOHQAADZYYJVKC-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds8

About methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate

methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate (PubChem CID 12997158) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate.

Molecular Properties

Compound Namemethyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate
PubChem CID12997158
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate
SMILESCOC(=O)CCCCCCC1C(=O)CCC1C(C)=O
InChIInChI=1S/C15H24O4/c1-11(16)12-9-10-14(17)13(12)7-5-3-4-6-8-15(18)19-2/h12-13H,3-10H2,1-2H3
InChIKeyJOHQAADZYYJVKC-UHFFFAOYSA-N
XLogP2.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-[(1S,2R)-2-(1-hydroxyoctyl)-5-oxocyclopentyl]heptanoate
CID 70635296
methyl 7-[(2S)-2-(4-hexylphenyl)-5-oxocyclopentyl]heptanoate
CID 129084205
methyl 6-[(3aS,6aR,7S,9aR)-6-oxo-1,2,3,3a,4,5,6a,7,8,9-decahydrocyclopenta[d]inden-7-yl]hexanoate
CID 134979710
methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate
CID 70596212
methyl 7-[2-[(E)-3-hydroxy-6-methoxy-3-methylhex-1-enyl]-5-oxocyclopentyl]heptanoate
CID 21423427
methyl 6-[(1R,2R)-2-(4-hydroxy-4-methylocta-1,5-dienyl)-5-oxocyclopentyl]hexanoate
CID 57305704
ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
CID 22797030
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 7-[(1S,2S,3S)-2-formyl-5-oxo-3-(2-oxopropanoyloxy)cyclopentyl]heptanoate
CID 88825250
butyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]heptanoate
CID 22797043

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate?
The IUPAC name of methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate (CID 12997158) is methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate.
What is the SMILES notation for methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate?
The canonical SMILES for methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate is COC(=O)CCCCCCC1C(=O)CCC1C(C)=O.
What is the InChIKey of methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate?
The InChIKey is JOHQAADZYYJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-11(16)12-9-10-14(17)13(12)7-5-3-4-6-8-15(18)19-2/h12-13H,3-10H2,1-2H3.
What are the key properties of methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate?
methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate has a molecular weight of 268.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate is sourced from PubChem (CID 12997158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).