(5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal

C20H32O3 — CID 146338237

IUPAC(5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal
SMILESCCCCCC(O)/C=C/C=C\C=C/C(O)C/C=C\CCCC=O
InChIInChI=1S/C20H32O3/c1-2-3-9-14-19(22)16-11-6-7-12-17-20(23)15-10-5-4-8-13-18-21/h5-7,10-12,16-20,22-23H,2-4,8-9,13-15H2,1H3/b7-6-,10-5-,16-11+,17-12-
InChIKeyNRCWIZLIJFZWES-ITEJTKDISA-N
MW320.47 g/mol
LogP4.27
Rot. Bonds14

About (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal

(5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal (PubChem CID 146338237) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal.

Molecular Properties

Compound Name(5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal
PubChem CID146338237
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal
SMILESCCCCCC(O)/C=C/C=C\C=C/C(O)C/C=C\CCCC=O
InChIInChI=1S/C20H32O3/c1-2-3-9-14-19(22)16-11-6-7-12-17-20(23)15-10-5-4-8-13-18-21/h5-7,10-12,16-20,22-23H,2-4,8-9,13-15H2,1H3/b7-6-,10-5-,16-11+,17-12-
InChIKeyNRCWIZLIJFZWES-ITEJTKDISA-N
XLogP4.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358
(8S,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 6610237
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
CID 6449839
(5S,6E,8Z,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide
CID 35024613
[(2R)-2-hydroxy-3-octadecanoyloxypropyl] (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
CID 157003996
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
CID 157003580
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylsulfonylicosa-6,8,10,14-tetraenamide
CID 11742489
[(2S)-2-hydroxy-3-(15-methylhexadecanoyloxy)propyl] (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
CID 157007530
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335
(5S,10E,12R,14Z)-N-(3-aminopropyl)-5,12-dihydroxyicosa-6,8,10,14-tetraenamide
CID 88680058
diethyl 2-[(1Z,3E,5E,9Z)-7-hydroxypentadeca-1,3,5,9-tetraenyl]propanedioate
CID 10926959

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal?
The IUPAC name of (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal (CID 146338237) is (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal.
What is the SMILES notation for (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal?
The canonical SMILES for (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal is CCCCCC(O)/C=C/C=C\C=C/C(O)C/C=C\CCCC=O.
What is the InChIKey of (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal?
The InChIKey is NRCWIZLIJFZWES-ITEJTKDISA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-9-14-19(22)16-11-6-7-12-17-20(23)15-10-5-4-8-13-18-21/h5-7,10-12,16-20,22-23H,2-4,8-9,13-15H2,1H3/b7-6-,10-5-,16-11+,17-12-.
What are the key properties of (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal?
(5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal has a molecular weight of 320.47 g/mol, XLogP of 4.27, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenal is sourced from PubChem (CID 146338237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).