(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid

C20H36O5 — CID 70636407

IUPAC(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
SMILESCCCCCCCC(O)C1C(O)CC(O)C1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H36O5/c1-2-3-4-5-9-12-16(21)20-15(17(22)14-18(20)23)11-8-6-7-10-13-19(24)25/h6,8,15-18,20-23H,2-5,7,9-14H2,1H3,(H,24,25)/b8-6-
InChIKeyFDXAUQWKTXMNGF-VURMDHGXSA-N
MW356.50 g/mol
LogP3.27
Rot. Bonds13

About (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid

(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid (PubChem CID 70636407) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
PubChem CID70636407
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
SMILESCCCCCCCC(O)C1C(O)CC(O)C1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H36O5/c1-2-3-4-5-9-12-16(21)20-15(17(22)14-18(20)23)11-8-6-7-10-13-19(24)25/h6,8,15-18,20-23H,2-5,7,9-14H2,1H3,(H,24,25)/b8-6-
InChIKeyFDXAUQWKTXMNGF-VURMDHGXSA-N
XLogP3.27
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid
CID 20655967
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 67853576
(E)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042160
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 134688226
(E)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22795415
(E)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 133126547
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10522105
(Z)-7-[(1S,2S,3R,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 139593376
7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
CID 54213053
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
CID 5354032
(Z)-9-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 35022708

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid (CID 70636407) is (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid is CCCCCCCC(O)C1C(O)CC(O)C1C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid?
The InChIKey is FDXAUQWKTXMNGF-VURMDHGXSA-N. The full InChI is InChI=1S/C20H36O5/c1-2-3-4-5-9-12-16(21)20-15(17(22)14-18(20)23)11-8-6-7-10-13-19(24)25/h6,8,15-18,20-23H,2-5,7,9-14H2,1H3,(H,24,25)/b8-6-.
What are the key properties of (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid?
(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid has a molecular weight of 356.50 g/mol, XLogP of 3.27, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70636407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).