3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid

C18H32O5 — CID 87127510

IUPAC3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid
SMILESO=CCCCCCCCCCC1C(O)CC(O)C1CCC(=O)O
InChIInChI=1S/C18H32O5/c19-12-8-6-4-2-1-3-5-7-9-14-15(10-11-18(22)23)17(21)13-16(14)20/h12,14-17,20-21H,1-11,13H2,(H,22,23)
InChIKeyBRGYGKJCZIVUQG-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.92
Rot. Bonds13

About 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid

3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid (PubChem CID 87127510) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid
PubChem CID87127510
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid
SMILESO=CCCCCCCCCCC1C(O)CC(O)C1CCC(=O)O
InChIInChI=1S/C18H32O5/c19-12-8-6-4-2-1-3-5-7-9-14-15(10-11-18(22)23)17(21)13-16(14)20/h12,14-17,20-21H,1-11,13H2,(H,22,23)
InChIKeyBRGYGKJCZIVUQG-UHFFFAOYSA-N
XLogP2.92
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic 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 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid?
The IUPAC name of 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid (CID 87127510) is 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid.
What is the SMILES notation for 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid?
The canonical SMILES for 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid is O=CCCCCCCCCCC1C(O)CC(O)C1CCC(=O)O.
What is the InChIKey of 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid?
The InChIKey is BRGYGKJCZIVUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c19-12-8-6-4-2-1-3-5-7-9-14-15(10-11-18(22)23)17(21)13-16(14)20/h12,14-17,20-21H,1-11,13H2,(H,22,23).
What are the key properties of 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid?
3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid has a molecular weight of 328.45 g/mol, XLogP of 2.92, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dihydroxy-2-(10-oxodecyl)cyclopentyl]propanoic acid is sourced from PubChem (CID 87127510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).