(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate

C20H31O4- — CID 102571789

IUPAC(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate
SMILESO=C([O-])CCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCCO
InChIInChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/p-1/b4-2-,7-3-,12-8-,15-11+
InChIKeyNUPDGIJXOAHJRW-LNESKJDXSA-M
MW335.46 g/mol
LogP2.83
Rot. Bonds15

About (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate

(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate (PubChem CID 102571789) has the molecular formula C20H31O4- and a molecular weight of 335.46 g/mol. Its IUPAC name is (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate.

Molecular Properties

Compound Name(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate
PubChem CID102571789
Molecular FormulaC20H31O4-
Molecular Weight335.46 g/mol
Exact Mass335.22
IUPAC Name(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate
SMILESO=C([O-])CCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCCO
InChIInChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/p-1/b4-2-,7-3-,12-8-,15-11+
InChIKeyNUPDGIJXOAHJRW-LNESKJDXSA-M
XLogP2.83
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate with MolForge

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Related Compounds

(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid
CID 125183325
sodium (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310855
sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate
CID 23694179
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate
CID 146681088
(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(5S,6E,8E,10Z,12R,14E)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid
CID 124671169
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(2Z,5Z,7E,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
CID 14056119
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate?
The IUPAC name of (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate (CID 102571789) is (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate.
What is the SMILES notation for (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate?
The canonical SMILES for (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate is O=C([O-])CCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCCO.
What is the InChIKey of (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate?
The InChIKey is NUPDGIJXOAHJRW-LNESKJDXSA-M. The full InChI is InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/p-1/b4-2-,7-3-,12-8-,15-11+.
What are the key properties of (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate?
(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate has a molecular weight of 335.46 g/mol, XLogP of 2.83, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate is sourced from PubChem (CID 102571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).