(Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid

C20H34O6 — CID 126457322

IUPAC(Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid
SMILESCCCCCC(O)/C=C/C1OC(C(O)C/C=C\CCCC(=O)O)CC1O
InChIInChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+
InChIKeyWNNXWLICSWATQV-ZQDYKODVSA-N
MW370.49 g/mol
LogP2.56
Rot. Bonds13

About (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid

(Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid (PubChem CID 126457322) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid.

Molecular Properties

Compound Name(Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid
PubChem CID126457322
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid
SMILESCCCCCC(O)/C=C/C1OC(C(O)C/C=C\CCCC(=O)O)CC1O
InChIInChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+
InChIKeyWNNXWLICSWATQV-ZQDYKODVSA-N
XLogP2.56
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid?
The IUPAC name of (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid (CID 126457322) is (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid.
What is the SMILES notation for (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid?
The canonical SMILES for (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid is CCCCCC(O)/C=C/C1OC(C(O)C/C=C\CCCC(=O)O)CC1O.
What is the InChIKey of (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid?
The InChIKey is WNNXWLICSWATQV-ZQDYKODVSA-N. The full InChI is InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+.
What are the key properties of (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid?
(Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid has a molecular weight of 370.49 g/mol, XLogP of 2.56, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-hydroxy-8-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid is sourced from PubChem (CID 126457322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).