5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid

C20H36O3 — CID 154418264

IUPAC5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1CCC(O)CCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-4-5-6-7-10-17-11-8-12-18(17)15-16-19(21)13-9-14-20(22)23/h7,10,17-19,21H,2-6,8-9,11-16H2,1H3,(H,22,23)/b10-7+/t17-,18+,19?/m0/s1
InChIKeyGABCIJWCDMSAIN-PPLPCLRRSA-N
MW324.51 g/mol
LogP5.33
Rot. Bonds13

About 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid

5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid (PubChem CID 154418264) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
PubChem CID154418264
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1CCC(O)CCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-4-5-6-7-10-17-11-8-12-18(17)15-16-19(21)13-9-14-20(22)23/h7,10,17-19,21H,2-6,8-9,11-16H2,1H3,(H,22,23)/b10-7+/t17-,18+,19?/m0/s1
InChIKeyGABCIJWCDMSAIN-PPLPCLRRSA-N
XLogP5.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid
CID 57014423
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
CID 22788958

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid?
The IUPAC name of 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid (CID 154418264) is 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid.
What is the SMILES notation for 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid?
The canonical SMILES for 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid is CCCCCC/C=C/[C@H]1CCC[C@@H]1CCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid?
The InChIKey is GABCIJWCDMSAIN-PPLPCLRRSA-N. The full InChI is InChI=1S/C20H36O3/c1-2-3-4-5-6-7-10-17-11-8-12-18(17)15-16-19(21)13-9-14-20(22)23/h7,10,17-19,21H,2-6,8-9,11-16H2,1H3,(H,22,23)/b10-7+/t17-,18+,19?/m0/s1.
What are the key properties of 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid?
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid has a molecular weight of 324.51 g/mol, XLogP of 5.33, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid is sourced from PubChem (CID 154418264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).