(Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid

C20H30O5 — CID 91873697

IUPAC(Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
SMILESCC/C=C\CC/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCC(O)C(=O)O
InChIInChI=1S/C20H30O5/c1-2-3-4-5-6-8-11-15-16(19(23)14-18(15)22)12-9-7-10-13-17(21)20(24)25/h3-4,7-9,11,15-18,21-22H,2,5-6,10,12-14H2,1H3,(H,24,25)/b4-3-,9-7-,11-8+/t15-,16-,17?,18-/m1/s1
InChIKeyAIHVFAVNHWOMMX-XXDRVQENSA-N
MW350.46 g/mol
LogP3.03
Rot. Bonds11

About (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid

(Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid (PubChem CID 91873697) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
PubChem CID91873697
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name(Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
SMILESCC/C=C\CC/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCC(O)C(=O)O
InChIInChI=1S/C20H30O5/c1-2-3-4-5-6-8-11-15-16(19(23)14-18(15)22)12-9-7-10-13-17(21)20(24)25/h3-4,7-9,11,15-18,21-22H,2,5-6,10,12-14H2,1H3,(H,24,25)/b4-3-,9-7-,11-8+/t15-,16-,17?,18-/m1/s1
InChIKeyAIHVFAVNHWOMMX-XXDRVQENSA-N
XLogP3.03
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic 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

(E,4S)-4-hydroxy-6-[(1S,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
CID 131840470
(E,4R)-4-hydroxy-6-[(1S,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
CID 131840462
(Z)-6-[(1S,2S,3S)-3-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 131840669
(4Z,7R,8E)-7-hydroxy-9-[(1R,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-3-oxocyclopentyl]nona-4,8-dienoic acid
CID 131840480
(Z)-6-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 131840676
(Z)-7-[(1R,2R,3S)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 35022205
(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840703
(4Z,7Z,10Z)-12-[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840705
(4Z,7Z,10Z)-12-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840707
(Z)-8-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]oct-6-enoic acid
CID 171116186
(E,5R)-5-hydroxy-7-[(2R,5R)-5-hydroxy-2-[(Z)-oct-2-enyl]-3-oxocyclopentyl]hept-6-enoic acid
CID 52921960
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 9691

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid (CID 91873697) is (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid is CC/C=C\CC/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCC(O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid?
The InChIKey is AIHVFAVNHWOMMX-XXDRVQENSA-N. The full InChI is InChI=1S/C20H30O5/c1-2-3-4-5-6-8-11-15-16(19(23)14-18(15)22)12-9-7-10-13-17(21)20(24)25/h3-4,7-9,11,15-18,21-22H,2,5-6,10,12-14H2,1H3,(H,24,25)/b4-3-,9-7-,11-8+/t15-,16-,17?,18-/m1/s1.
What are the key properties of (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid?
(Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid has a molecular weight of 350.46 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-octa-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 91873697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).