7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid

C20H34O4 — CID 25207345

IUPAC7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid
SMILESCCCCCC(=O)CCC1CCC(=O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h16,18H,2-15H2,1H3,(H,23,24)/t16?,18-/m1/s1
InChIKeyWKRFBISWQTVSHD-UHUGOGIASA-N
MW338.49 g/mol
LogP4.94
Rot. Bonds14

About 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid

7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid (PubChem CID 25207345) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid
PubChem CID25207345
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid
SMILESCCCCCC(=O)CCC1CCC(=O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h16,18H,2-15H2,1H3,(H,23,24)/t16?,18-/m1/s1
InChIKeyWKRFBISWQTVSHD-UHUGOGIASA-N
XLogP4.94
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58749586
CID 58749586
7-[(1R,2R)-2-(4,4-difluoro-3-oxodecyl)-5-oxocyclopentyl]heptanoic acid
CID 11996442
7-[(2R)-2-(4,4-difluoro-3-oxononyl)-5-oxocyclopentyl]heptanoic acid
CID 154008029
6-[(1R,2S)-2-(3-aminooctyl)-5-oxocyclopentyl]hexanoic acid
CID 18594831
7-[(1R)-2-(3-hydroxy-3-methyloctyl)-5-oxocyclopentyl]heptanoic acid
CID 10021050
7-[(1R,2S)-2-(3-aminohexyl)-5-oxocyclopentyl]heptanoic acid
CID 18594826
butyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]heptanoate
CID 22797043
7-[(1R,2R,5R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
CID 35028414
7-[(1R,2S)-2-hexyl-5-hydroxyiminocyclopentyl]heptanoic acid
CID 88633091
ethyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-2-oxoheptanoate
CID 54107228
propan-2-yl 7-[(1R,2S)-2-hexyl-5-oxocyclopentyl]heptanoate
CID 22797039
trans-(2R,3S)-3-[4-hydroxy-4-(hydroxymethyl)octyl]-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-one
CID 54023628

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid (CID 25207345) is 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid is CCCCCC(=O)CCC1CCC(=O)[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid?
The InChIKey is WKRFBISWQTVSHD-UHUGOGIASA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h16,18H,2-15H2,1H3,(H,23,24)/t16?,18-/m1/s1.
What are the key properties of 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid?
7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid has a molecular weight of 338.49 g/mol, XLogP of 4.94, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 25207345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).