(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid

C22H36O4 — CID 70613609

IUPAC(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
SMILESCC(O)(/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)CC1CCCC1
InChIInChI=1S/C22H36O4/c1-22(26,16-17-8-6-7-9-17)15-14-18-12-13-20(23)19(18)10-4-2-3-5-11-21(24)25/h2,4,14-15,17-20,23,26H,3,5-13,16H2,1H3,(H,24,25)/b4-2-,15-14+/t18-,19-,20+,22?/m1/s1
InChIKeyOCSOHCFPTWUUNP-DQVIOPOGSA-N
MW364.53 g/mol
LogP4.46
Rot. Bonds10

About (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid (PubChem CID 70613609) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
PubChem CID70613609
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
SMILESCC(O)(/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)CC1CCCC1
InChIInChI=1S/C22H36O4/c1-22(26,16-17-8-6-7-9-17)15-14-18-12-13-20(23)19(18)10-4-2-3-5-11-21(24)25/h2,4,14-15,17-20,23,26H,3,5-13,16H2,1H3,(H,24,25)/b4-2-,15-14+/t18-,19-,20+,22?/m1/s1
InChIKeyOCSOHCFPTWUUNP-DQVIOPOGSA-N
XLogP4.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.46
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,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]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

(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E)-3-methyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid
CID 70590096
7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid
CID 57008385
(E)-7-[2-[(Z)-4-ethyl-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 149434844
(E)-7-[(1R,2R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 122176719
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 5283104
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 5281075
(Z)-7-[(2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885949
6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid
CID 57284692
(Z)-7-[(1R,2R)-2-[(E)-4-(4-bromo-5-methylthiophen-2-yl)-3-oxobut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 58806910
6-[2-hydroxy-5-(3-oxooct-1-enyl)cyclopentyl]hex-4-enoic acid
CID 57257251
(Z)-7-[2-hydroxy-5-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enoic acid
CID 67816140
7-[(1R,5R)-2-hydroxy-5-[(3R)-3-hydroxy-4-(5-methylthiophen-2-yl)sulfanylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 90760295

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid (CID 70613609) is (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid is CC(O)(/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)CC1CCCC1.
What is the InChIKey of (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is OCSOHCFPTWUUNP-DQVIOPOGSA-N. The full InChI is InChI=1S/C22H36O4/c1-22(26,16-17-8-6-7-9-17)15-14-18-12-13-20(23)19(18)10-4-2-3-5-11-21(24)25/h2,4,14-15,17-20,23,26H,3,5-13,16H2,1H3,(H,24,25)/b4-2-,15-14+/t18-,19-,20+,22?/m1/s1.
What are the key properties of (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 364.53 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70613609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).