(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid

C20H32O3 — CID 59892273

IUPAC(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1CCC[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-6-13-19(21)16-15-18-12-9-11-17(18)10-7-4-5-8-14-20(22)23/h3-4,6-7,15-19,21H,2,5,8-14H2,1H3,(H,22,23)/b6-3-,7-4-,16-15+/t17-,18+,19-/m0/s1
InChIKeyGBPUICVLPSQCJL-YRIKIFMCSA-N
MW320.47 g/mol
LogP4.88
Rot. Bonds11

About (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid (PubChem CID 59892273) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
PubChem CID59892273
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1CCC[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-6-13-19(21)16-15-18-12-9-11-17(18)10-7-4-5-8-14-20(22)23/h3-4,6-7,15-19,21H,2,5,8-14H2,1H3,(H,22,23)/b6-3-,7-4-,16-15+/t17-,18+,19-/m0/s1
InChIKeyGBPUICVLPSQCJL-YRIKIFMCSA-N
XLogP4.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.88
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

(E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 22093416
(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane
CID 158178848
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
(E)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3R,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 124586049
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 57042448
(Z)-7-[(1R,2R,3S)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 35022205
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 172859860
(Z)-7-[(1R,3S,4R,5R)-3-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
CID 50935421
(E)-7-[(2R,3S,4S,6S)-4,6-dihydroxy-2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]oxan-3-yl]hept-5-enoic acid
CID 125183346
(Z)-7-[(1R)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 90471786
(Z)-7-[(1R,2S)-2-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 35021035
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 5283112

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid (CID 59892273) is (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid is CC/C=C\C[C@H](O)/C=C/[C@H]1CCC[C@@H]1C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid?
The InChIKey is GBPUICVLPSQCJL-YRIKIFMCSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-6-13-19(21)16-15-18-12-9-11-17(18)10-7-4-5-8-14-20(22)23/h3-4,6-7,15-19,21H,2,5,8-14H2,1H3,(H,22,23)/b6-3-,7-4-,16-15+/t17-,18+,19-/m0/s1.
What are the key properties of (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 320.47 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 59892273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).