(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

C20H34O5 — CID 172859860

IUPAC(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1CCC[C@@H]1/C=C/CCCCCC(O)(O)O
InChIInChI=1S/C20H34O5/c21-19(22)15-8-4-3-7-12-18-14-10-13-17(18)11-6-2-1-5-9-16-20(23,24)25/h3,6-7,11,17-18,23-25H,1-2,4-5,8-10,12-16H2,(H,21,22)/b7-3-,11-6+/t17-,18-/m0/s1
InChIKeyZEYRIYIMZCGLDM-JFQFUZGZSA-N
MW354.49 g/mol
LogP3.74
Rot. Bonds13

About (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (PubChem CID 172859860) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
PubChem CID172859860
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1CCC[C@@H]1/C=C/CCCCCC(O)(O)O
InChIInChI=1S/C20H34O5/c21-19(22)15-8-4-3-7-12-18-14-10-13-17(18)11-6-2-1-5-9-16-20(23,24)25/h3,6-7,11,17-18,23-25H,1-2,4-5,8-10,12-16H2,(H,21,22)/b7-3-,11-6+/t17-,18-/m0/s1
InChIKeyZEYRIYIMZCGLDM-JFQFUZGZSA-N
XLogP3.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid with MolForge

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Related Compounds

(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
(E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 22093416
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 59892273
(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
CID 142043708
(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane
CID 158178848
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
[(Z)-8-[(1R,2S)-2-[(E)-dec-1-enyl]cyclopentyl]-2,2-dihydroxyoct-6-enyl] acetate
CID 70607210
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (CID 172859860) is (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1CCC[C@@H]1/C=C/CCCCCC(O)(O)O.
What is the InChIKey of (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The InChIKey is ZEYRIYIMZCGLDM-JFQFUZGZSA-N. The full InChI is InChI=1S/C20H34O5/c21-19(22)15-8-4-3-7-12-18-14-10-13-17(18)11-6-2-1-5-9-16-20(23,24)25/h3,6-7,11,17-18,23-25H,1-2,4-5,8-10,12-16H2,(H,21,22)/b7-3-,11-6+/t17-,18-/m0/s1.
What are the key properties of (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 354.49 g/mol, XLogP of 3.74, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 172859860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).