7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid

C21H34O4 — CID 18636530

IUPAC7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1C(=O)CC=C1CC[C@H](O)C1CCCCC1
InChIInChI=1S/C21H34O4/c22-19(17-8-4-3-5-9-17)14-12-16-13-15-20(23)18(16)10-6-1-2-7-11-21(24)25/h13,17-19,22H,1-12,14-15H2,(H,24,25)/t18-,19+/m1/s1
InChIKeyFELTXPSIAIFFCY-MOPGFXCFSA-N
MW350.50 g/mol
LogP4.65
Rot. Bonds11

About 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid

7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid (PubChem CID 18636530) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid
PubChem CID18636530
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1C(=O)CC=C1CC[C@H](O)C1CCCCC1
InChIInChI=1S/C21H34O4/c22-19(17-8-4-3-5-9-17)14-12-16-13-15-20(23)18(16)10-6-1-2-7-11-21(24)25/h13,17-19,22H,1-12,14-15H2,(H,24,25)/t18-,19+/m1/s1
InChIKeyFELTXPSIAIFFCY-MOPGFXCFSA-N
XLogP4.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid?
The IUPAC name of 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid (CID 18636530) is 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid?
The canonical SMILES for 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid is O=C(O)CCCCCC[C@H]1C(=O)CC=C1CC[C@H](O)C1CCCCC1.
What is the InChIKey of 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid?
The InChIKey is FELTXPSIAIFFCY-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H34O4/c22-19(17-8-4-3-5-9-17)14-12-16-13-15-20(23)18(16)10-6-1-2-7-11-21(24)25/h13,17-19,22H,1-12,14-15H2,(H,24,25)/t18-,19+/m1/s1.
What are the key properties of 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid?
7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid has a molecular weight of 350.50 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-2-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid is sourced from PubChem (CID 18636530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).