(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid

C20H32O4 — CID 10449686

IUPAC(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid
SMILESCCCCCCC/C=C/C=C\C=C/C/C(O)=C(/O)CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h8-13,21-22H,2-7,14-17H2,1H3,(H,23,24)/b9-8+,11-10-,13-12-,19-18-
InChIKeyIPXHVPITGNIEFI-NEVVZNDISA-N
MW336.47 g/mol
LogP5.99
Rot. Bonds14

About (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid

(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid (PubChem CID 10449686) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid
PubChem CID10449686
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid
SMILESCCCCCCC/C=C/C=C\C=C/C/C(O)=C(/O)CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h8-13,21-22H,2-7,14-17H2,1H3,(H,23,24)/b9-8+,11-10-,13-12-,19-18-
InChIKeyIPXHVPITGNIEFI-NEVVZNDISA-N
XLogP5.99
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid with MolForge

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Related Compounds

(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
pentadeca-5,7-dienoic acid
CID 123590047
icosa-8,10,14-trienoic acid
CID 162425913
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
octadeca-3,5-dienoic acid
CID 54573818
pentadeca-3,5-dienoic acid
CID 91404982

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid?
The IUPAC name of (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid (CID 10449686) is (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid?
The canonical SMILES for (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid is CCCCCCC/C=C/C=C\C=C/C/C(O)=C(/O)CCCC(=O)O.
What is the InChIKey of (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid?
The InChIKey is IPXHVPITGNIEFI-NEVVZNDISA-N. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h8-13,21-22H,2-7,14-17H2,1H3,(H,23,24)/b9-8+,11-10-,13-12-,19-18-.
What are the key properties of (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid?
(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid has a molecular weight of 336.47 g/mol, XLogP of 5.99, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid is sourced from PubChem (CID 10449686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).