(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

C20H33FO4 — CID 6439375

IUPAC(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCCCCCC(F)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H33FO4/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16-,17-,18+,19-/m1/s1
InChIKeyQVEGHVAJDYOMGZ-OZPHKNKMSA-N
MW356.48 g/mol
LogP4.02
Rot. Bonds12

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

(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 6439375) has the molecular formula C20H33FO4 and a molecular weight of 356.48 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID6439375
Molecular FormulaC20H33FO4
Molecular Weight356.48 g/mol
Exact Mass356.24
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCCCCCC(F)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H33FO4/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16-,17-,18+,19-/m1/s1
InChIKeyQVEGHVAJDYOMGZ-OZPHKNKMSA-N
XLogP4.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.02
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,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (CID 6439375) is (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is CCCCCC(F)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is QVEGHVAJDYOMGZ-OZPHKNKMSA-N. The full InChI is InChI=1S/C20H33FO4/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16-,17-,18+,19-/m1/s1.
What are the key properties of (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 356.48 g/mol, XLogP of 4.02, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 6439375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).