(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid

C20H34O4 — CID 53481527

IUPAC(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/CC[C@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1
InChIKeyZMZNVSWCIRFLBV-GRXSAWGRSA-N
MW338.49 g/mol
LogP4.38
Rot. Bonds15

About (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid

(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid (PubChem CID 53481527) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid.

Molecular Properties

Compound Name(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid
PubChem CID53481527
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/CC[C@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1
InChIKeyZMZNVSWCIRFLBV-GRXSAWGRSA-N
XLogP4.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.38
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid?
The IUPAC name of (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid (CID 53481527) is (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid.
What is the SMILES notation for (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid?
The canonical SMILES for (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid is CCCCC/C=C\C[C@@H](O)/C=C/C=C/CC[C@H](O)CCCC(=O)O.
What is the InChIKey of (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid?
The InChIKey is ZMZNVSWCIRFLBV-GRXSAWGRSA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1.
What are the key properties of (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid?
(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid has a molecular weight of 338.49 g/mol, XLogP of 4.38, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid is sourced from PubChem (CID 53481527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).