7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid

C22H40O5 — CID 71684396

IUPAC7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid
SMILESCCCCC(C)CC(O)/C=C/C1C(O)CC(O)C1CCCCCCC(=O)O
InChIInChI=1S/C22H40O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h12-13,16-21,23-25H,3-11,14-15H2,1-2H3,(H,26,27)/b13-12+
InChIKeyGBYMYPWDCSUFAK-OUKQBFOZSA-N
MW384.56 g/mol
LogP3.90
Rot. Bonds14

About 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid

7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid (PubChem CID 71684396) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid
PubChem CID71684396
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid
SMILESCCCCC(C)CC(O)/C=C/C1C(O)CC(O)C1CCCCCCC(=O)O
InChIInChI=1S/C22H40O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h12-13,16-21,23-25H,3-11,14-15H2,1-2H3,(H,26,27)/b13-12+
InChIKeyGBYMYPWDCSUFAK-OUKQBFOZSA-N
XLogP3.90
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.90
H-Bond Donors ≤ 54
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 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]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-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid?
The IUPAC name of 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid (CID 71684396) is 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid is CCCCC(C)CC(O)/C=C/C1C(O)CC(O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid?
The InChIKey is GBYMYPWDCSUFAK-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H40O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h12-13,16-21,23-25H,3-11,14-15H2,1-2H3,(H,26,27)/b13-12+.
What are the key properties of 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid?
7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid has a molecular weight of 384.56 g/mol, XLogP of 3.90, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopentyl]heptanoic acid is sourced from PubChem (CID 71684396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).