(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

C20H34O4 — CID 5283079

IUPAC(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESCCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19-/m0/s1
InChIKeyYRFLKMLJQWGIIZ-APRRXLQMSA-N
MW338.49 g/mol
LogP4.07
Rot. Bonds12

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

(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (PubChem CID 5283079) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
PubChem CID5283079
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESCCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19-/m0/s1
InChIKeyYRFLKMLJQWGIIZ-APRRXLQMSA-N
XLogP4.07
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
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 (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid with MolForge

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Related Compounds

Prostaglandin E2
CID 5280360
Dinoprost
CID 5280363
Alprostadil
CID 5280723
Iloprost
CID 5311181
Prostaglandin D2
CID 448457
6-Ketoprostaglandin F1 alpha
CID 5280888
Pga1
CID 5281912
Limaprost
CID 6438378
16,16-Dimethyl-pge2
CID 5283066
Carboprost
CID 5281075
11-Epiprostaglandin F2alpha
CID 5280886
PGF1alpha
CID 5280939

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (CID 5283079) is (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid is CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The InChIKey is YRFLKMLJQWGIIZ-APRRXLQMSA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19-/m0/s1.
What are the key properties of (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 338.49 g/mol, XLogP of 4.07, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 5283079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).