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

C20H34O5 — CID 71684618

IUPAC7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
SMILESCCCCCC(=O)CC[C@H]1C(=O)CC(O)C1CCCCCCC(=O)O
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-18,22H,2-14H2,1H3,(H,24,25)/t16?,17-,18?/m1/s1
InChIKeyWTCAXDJXNVRHRC-LXPRWKDFSA-N
MW354.49 g/mol
LogP3.91
Rot. Bonds14

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

7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid (PubChem CID 71684618) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
PubChem CID71684618
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
SMILESCCCCCC(=O)CC[C@H]1C(=O)CC(O)C1CCCCCCC(=O)O
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-18,22H,2-14H2,1H3,(H,24,25)/t16?,17-,18?/m1/s1
InChIKeyWTCAXDJXNVRHRC-LXPRWKDFSA-N
XLogP3.91
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dihydroprostaglandin E1
CID 161273
13,14-dihydro-15-keto-PGE1
CID 165284
11alpha-Hydroxy-9,15-dioxo-2,3,4,5-tetranorprostane-1,20-dioic acid
CID 161468
13,14-dihydro-15-keto-PGF1alpha
CID 16061100
Rosaprostol
CID 6917723
7-[3-Hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid
CID 1428
6,15-diketo-13,14-dihydroprostaglandin F1alpha
CID 174013
7-[(1R,2S,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-ynyl]-5-oxocyclopentyl]heptanoic acid
CID 10405773
7-((1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl)heptanoic acid
CID 9800568
Rosaprostol sodium
CID 23663949
7-[(1R,2S,3R)-3-hydroxy-2-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]-5-oxocyclopentyl]-6-oxoheptanoic acid
CID 15024622
tetranor-PGDM
CID 44600448

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid (CID 71684618) is 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid is CCCCCC(=O)CC[C@H]1C(=O)CC(O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid?
The InChIKey is WTCAXDJXNVRHRC-LXPRWKDFSA-N. The full InChI is InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-18,22H,2-14H2,1H3,(H,24,25)/t16?,17-,18?/m1/s1.
What are the key properties of 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid?
7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid has a molecular weight of 354.49 g/mol, XLogP of 3.91, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 71684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).