(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate

C22H31O4- — CID 122391315

IUPAC(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate
SMILESCC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CCC(=O)[O-])OO
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-12-15-18-21(26-25)19-16-13-10-11-14-17-20-22(23)24/h3-4,6-7,9,11-16,18,21,25H,2,5,8,10,17,19-20H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKeyYBZVZSNFGOPPCL-SKSHMZPZSA-M
MW359.49 g/mol
LogP4.68
Rot. Bonds15

About (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate

(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate (PubChem CID 122391315) has the molecular formula C22H31O4- and a molecular weight of 359.49 g/mol. Its IUPAC name is (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate.

Molecular Properties

Compound Name(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate
PubChem CID122391315
Molecular FormulaC22H31O4-
Molecular Weight359.49 g/mol
Exact Mass359.22
IUPAC Name(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate
SMILESCC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CCC(=O)[O-])OO
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-12-15-18-21(26-25)19-16-13-10-11-14-17-20-22(23)24/h3-4,6-7,9,11-16,18,21,25H,2,5,8,10,17,19-20H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKeyYBZVZSNFGOPPCL-SKSHMZPZSA-M
XLogP4.68
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate with MolForge

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Related Compounds

(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-dihydroperoxydocosa-4,8,10,12,16,19-hexaenoate
CID 146681086
(4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 131983349
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate
CID 146681088
14-hydroperoxydocosa-7,10,12,16,19-pentaenoic acid
CID 162821597
(8Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosa-8,10,13,15,19-pentaenoic acid
CID 121295244
(6Z,8E,10R,12Z)-10-hydroperoxyoctadeca-6,8,12-trienoate
CID 86289458
carbonic acid;12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652465
calcium bis((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate)
CID 102375877
(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
CID 102571770
12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652466
sodium 15-hydroperoxyicosa-5,8,11,13-tetraenoate
CID 141454510
(4S,17R)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid
CID 90827188

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate?
The IUPAC name of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate (CID 122391315) is (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate.
What is the SMILES notation for (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate?
The canonical SMILES for (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate is CC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CCC(=O)[O-])OO.
What is the InChIKey of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate?
The InChIKey is YBZVZSNFGOPPCL-SKSHMZPZSA-M. The full InChI is InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-12-15-18-21(26-25)19-16-13-10-11-14-17-20-22(23)24/h3-4,6-7,9,11-16,18,21,25H,2,5,8,10,17,19-20H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+.
What are the key properties of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate?
(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate has a molecular weight of 359.49 g/mol, XLogP of 4.68, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate is sourced from PubChem (CID 122391315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).