(Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid

C23H29ClO6 — CID 70619074

IUPAC(Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1CCC1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C23H29ClO6/c24-17-9-7-16(8-10-17)23(29-13-14-30-23)12-11-19-18(20(25)15-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-10,18-20,25H,2,4-6,11-15H2,(H,27,28)/b3-1-/t18-,19-,20+/m1/s1
InChIKeyBKLSGOOHRCJHMK-GYLIKNLMSA-N
MW436.93 g/mol
LogP4.09
Rot. Bonds10

About (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid (PubChem CID 70619074) has the molecular formula C23H29ClO6 and a molecular weight of 436.93 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid
PubChem CID70619074
Molecular FormulaC23H29ClO6
Molecular Weight436.93 g/mol
Exact Mass436.17
IUPAC Name(Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1CCC1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C23H29ClO6/c24-17-9-7-16(8-10-17)23(29-13-14-30-23)12-11-19-18(20(25)15-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-10,18-20,25H,2,4-6,11-15H2,(H,27,28)/b3-1-/t18-,19-,20+/m1/s1
InChIKeyBKLSGOOHRCJHMK-GYLIKNLMSA-N
XLogP4.09
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-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

(Z)-7-[(1R,2R,3R)-2-[(E)-2-[2-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
CID 70618715
7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-(phenoxymethyl)cyclopentyl]hept-5-enoic acid
CID 67527571
7-[3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 4307039
(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 5280711
(Z)-7-[(2R)-2-[(E,3R)-4-(4-chlorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 6434263
(Z)-7-[(1R,2R,3R)-2-(5,5-difluoro-4-oxooctyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
CID 15200557
(Z)-7-[(1R,2R,3R)-2-[(3S,7R)-3,7-dihydroxyoctyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
CID 95065586
(Z)-7-[(1R,2R,5S)-5-[[4-(4-chlorophenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 70513681
(E)-7-[5-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 20527904
(Z)-7-[(1R,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 95065561
7-[(1R,2R,5S)-2-[6-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyhex-1-enyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid
CID 67000922
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(4-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 10251792

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid (CID 70619074) is (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1CCC1(c2ccc(Cl)cc2)OCCO1.
What is the InChIKey of (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid?
The InChIKey is BKLSGOOHRCJHMK-GYLIKNLMSA-N. The full InChI is InChI=1S/C23H29ClO6/c24-17-9-7-16(8-10-17)23(29-13-14-30-23)12-11-19-18(20(25)15-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-10,18-20,25H,2,4-6,11-15H2,(H,27,28)/b3-1-/t18-,19-,20+/m1/s1.
What are the key properties of (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid has a molecular weight of 436.93 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,5S)-2-[2-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]ethyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70619074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).