(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate

C20H31O4- — CID 102571770

IUPAC(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)[O-])OO
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14+
InChIKeyJNUUNUQHXIOFDA-XTDASVJISA-M
MW335.46 g/mol
LogP4.35
Rot. Bonds15

About (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate

(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate (PubChem CID 102571770) has the molecular formula C20H31O4- and a molecular weight of 335.46 g/mol. Its IUPAC name is (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate.

Molecular Properties

Compound Name(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
PubChem CID102571770
Molecular FormulaC20H31O4-
Molecular Weight335.46 g/mol
Exact Mass335.22
IUPAC Name(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)[O-])OO
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14+
InChIKeyJNUUNUQHXIOFDA-XTDASVJISA-M
XLogP4.35
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate with MolForge

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Related Compounds

(8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoate
CID 139036272
sodium 15-hydroperoxyicosa-5,8,11,13-tetraenoate
CID 141454510
(5S,6E,8E,11E,14E)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
CID 6526320
methyl (5S,6E,8E,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
CID 177458070
13-hydroperoxyoctadeca-6,9,11-trienoic acid
CID 53394279
(13S)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
CID 57357406
(5E,8Z,11Z,13Z)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
CID 6440418
(6Z,8E,10R,12Z)-10-hydroperoxyoctadeca-6,8,12-trienoate
CID 86289458
(E)-10-hydroperoxyoctadec-8-enoate
CID 86289553
(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroperoxyicosa-5,8,10,12-tetraenoate
CID 122391334
(5S)-5-(trioxidanyl)icosa-6,8,11,14-tetraenoic acid
CID 91061660

Frequently Asked Questions

What is the IUPAC name of (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate?
The IUPAC name of (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate (CID 102571770) is (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate.
What is the SMILES notation for (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate?
The canonical SMILES for (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)[O-])OO.
What is the InChIKey of (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate?
The InChIKey is JNUUNUQHXIOFDA-XTDASVJISA-M. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14+.
What are the key properties of (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate?
(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate has a molecular weight of 335.46 g/mol, XLogP of 4.35, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate is sourced from PubChem (CID 102571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).