2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid

C22H38O4 — CID 54382796

IUPAC2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid
SMILESCCCCCC(C)C=C[C@H]1CCC(=O)[C@]1(C)CCCCCC(O)C(=O)O
InChIInChI=1S/C22H38O4/c1-4-5-7-10-17(2)12-13-18-14-15-20(24)22(18,3)16-9-6-8-11-19(23)21(25)26/h12-13,17-19,23H,4-11,14-16H2,1-3H3,(H,25,26)/t17?,18-,19?,22+/m0/s1
InChIKeyVBCYPLFIVMJIMY-LAKQMRRBSA-N
MW366.54 g/mol
LogP5.14
Rot. Bonds13

About 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid

2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid (PubChem CID 54382796) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid.

Molecular Properties

Compound Name2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid
PubChem CID54382796
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid
SMILESCCCCCC(C)C=C[C@H]1CCC(=O)[C@]1(C)CCCCCC(O)C(=O)O
InChIInChI=1S/C22H38O4/c1-4-5-7-10-17(2)12-13-18-14-15-20(24)22(18,3)16-9-6-8-11-19(23)21(25)26/h12-13,17-19,23H,4-11,14-16H2,1-3H3,(H,25,26)/t17?,18-,19?,22+/m0/s1
InChIKeyVBCYPLFIVMJIMY-LAKQMRRBSA-N
XLogP5.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.14
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 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]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

Related Compounds

ethyl 2-fluoro-7-[(1S,2R)-2-(3-hydroxy-5,5-dimethyloct-1-enyl)-1-methyl-5-oxocyclopentyl]heptanoate
CID 88728268
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxy-7-[(1R)-1-methyl-2-octyl-5-oxocyclopent-2-en-1-yl]heptanoic acid
CID 54549087
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-hydroxyheptanoic acid
CID 2750949
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
2-ethyl-2-hydroxy-7-[(1R,2S)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopent-3-en-1-yl]heptanoic acid
CID 57209542
2-hydroxy-7-[(1R,2R)-2-[(E)-oct-1-enyl]-3,5-dioxocyclopentyl]heptanoic acid
CID 91873511
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid?
The IUPAC name of 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid (CID 54382796) is 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid.
What is the SMILES notation for 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid?
The canonical SMILES for 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid is CCCCCC(C)C=C[C@H]1CCC(=O)[C@]1(C)CCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid?
The InChIKey is VBCYPLFIVMJIMY-LAKQMRRBSA-N. The full InChI is InChI=1S/C22H38O4/c1-4-5-7-10-17(2)12-13-18-14-15-20(24)22(18,3)16-9-6-8-11-19(23)21(25)26/h12-13,17-19,23H,4-11,14-16H2,1-3H3,(H,25,26)/t17?,18-,19?,22+/m0/s1.
What are the key properties of 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid?
2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid has a molecular weight of 366.54 g/mol, XLogP of 5.14, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid is sourced from PubChem (CID 54382796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).