3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid

C21H38O5 — CID 54147936

IUPAC3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid
SMILESCCCCCC(O)C=C[C@H]1CCC[C@@H]1CCCCC(O)C(OC)C(=O)O
InChIInChI=1S/C21H38O5/c1-3-4-5-12-18(22)15-14-17-11-8-10-16(17)9-6-7-13-19(23)20(26-2)21(24)25/h14-20,22-23H,3-13H2,1-2H3,(H,24,25)/t16-,17+,18?,19?,20?/m0/s1
InChIKeyOFRUZYWQGGKTAB-RWTLDIJBSA-N
MW370.53 g/mol
LogP3.92
Rot. Bonds14

About 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid

3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid (PubChem CID 54147936) has the molecular formula C21H38O5 and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid.

Molecular Properties

Compound Name3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid
PubChem CID54147936
Molecular FormulaC21H38O5
Molecular Weight370.53 g/mol
Exact Mass370.27
IUPAC Name3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid
SMILESCCCCCC(O)C=C[C@H]1CCC[C@@H]1CCCCC(O)C(OC)C(=O)O
InChIInChI=1S/C21H38O5/c1-3-4-5-12-18(22)15-14-17-11-8-10-16(17)9-6-7-13-19(23)20(26-2)21(24)25/h14-20,22-23H,3-13H2,1-2H3,(H,24,25)/t16-,17+,18?,19?,20?/m0/s1
InChIKeyOFRUZYWQGGKTAB-RWTLDIJBSA-N
XLogP3.92
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid 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

11-Deoxy-PGE1
CID 5283055
Pgd1
CID 5280936
1(3)-glyceryl-PGD2
CID 24778487
1(3)-glyceryl-PGE2
CID 24778489
11-Deoxyprostaglandin F1alpha
CID 5283069
9R,15S-dihydroxy-13E-prostaenoic acid
CID 5283071
2-glyceryl-PGD2
CID 24778486
Prostaglandin D2-1-glyceryl ester
CID 53481917
2,3-dihydroxy-brefeldin A
CID 10757635
3-Methoxylimaprost
CID 91746215
3-methoxy Prostaglandin F1alpha
CID 91885952
2-Glyceryl-PGE2
CID 24778488

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid?
The IUPAC name of 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid (CID 54147936) is 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid.
What is the SMILES notation for 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid?
The canonical SMILES for 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid is CCCCCC(O)C=C[C@H]1CCC[C@@H]1CCCCC(O)C(OC)C(=O)O.
What is the InChIKey of 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid?
The InChIKey is OFRUZYWQGGKTAB-RWTLDIJBSA-N. The full InChI is InChI=1S/C21H38O5/c1-3-4-5-12-18(22)15-14-17-11-8-10-16(17)9-6-7-13-19(23)20(26-2)21(24)25/h14-20,22-23H,3-13H2,1-2H3,(H,24,25)/t16-,17+,18?,19?,20?/m0/s1.
What are the key properties of 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid?
3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid has a molecular weight of 370.53 g/mol, XLogP of 3.92, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-[(1S,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methoxyheptanoic acid is sourced from PubChem (CID 54147936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).