12-hydroperoxyicosa-5,8,10,14-tetraene

C20H34O2 — CID 88652466

IUPAC12-hydroperoxyicosa-5,8,10,14-tetraene
SMILESCCCCC=CCC=CC=CC(CC=CCCCCC)OO
InChIInChI=1S/C20H34O2/c1-3-5-7-9-11-12-13-15-17-19-20(22-21)18-16-14-10-8-6-4-2/h9,11,13-17,19-21H,3-8,10,12,18H2,1-2H3
InChIKeyBEVVLICHMWQJGC-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.62
Rot. Bonds14

About 12-hydroperoxyicosa-5,8,10,14-tetraene

12-hydroperoxyicosa-5,8,10,14-tetraene (PubChem CID 88652466) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 12-hydroperoxyicosa-5,8,10,14-tetraene.

Molecular Properties

Compound Name12-hydroperoxyicosa-5,8,10,14-tetraene
PubChem CID88652466
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name12-hydroperoxyicosa-5,8,10,14-tetraene
SMILESCCCCC=CCC=CC=CC(CC=CCCCCC)OO
InChIInChI=1S/C20H34O2/c1-3-5-7-9-11-12-13-15-17-19-20(22-21)18-16-14-10-8-6-4-2/h9,11,13-17,19-21H,3-8,10,12,18H2,1-2H3
InChIKeyBEVVLICHMWQJGC-UHFFFAOYSA-N
XLogP6.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

carbonic acid;12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652465
(5Z,8Z,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoic acid
CID 5283174
(8Z,10E,12S,14Z)-12-hydroperoxyicosa-8,10,14-trienoic acid
CID 86289456
(6Z,8E,10R,12Z)-10-hydroperoxyoctadeca-6,8,12-trienoate
CID 86289458
14-hydroperoxydocosa-7,10,12,16,19-pentaenoic acid
CID 162821597
(5S,6E,8E,11E,14E)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
CID 6526320
13-hydroperoxyoctadeca-6,9,11-trienoic acid
CID 53394279
(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
CID 102571770
(13S)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
CID 57357406
(2E,4Z)-deca-2,4-dienal;ethane;(6Z,10E,12Z)-9-hydroperoxyoctadeca-6,10,12-trienoic acid;(Z)-non-3-enal;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid
CID 163966130
methyl (5S,6E,8E,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
CID 177458070
(5E,8Z,11Z,13Z)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
CID 6440418

Frequently Asked Questions

What is the IUPAC name of 12-hydroperoxyicosa-5,8,10,14-tetraene?
The IUPAC name of 12-hydroperoxyicosa-5,8,10,14-tetraene (CID 88652466) is 12-hydroperoxyicosa-5,8,10,14-tetraene.
What is the SMILES notation for 12-hydroperoxyicosa-5,8,10,14-tetraene?
The canonical SMILES for 12-hydroperoxyicosa-5,8,10,14-tetraene is CCCCC=CCC=CC=CC(CC=CCCCCC)OO.
What is the InChIKey of 12-hydroperoxyicosa-5,8,10,14-tetraene?
The InChIKey is BEVVLICHMWQJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-3-5-7-9-11-12-13-15-17-19-20(22-21)18-16-14-10-8-6-4-2/h9,11,13-17,19-21H,3-8,10,12,18H2,1-2H3.
What are the key properties of 12-hydroperoxyicosa-5,8,10,14-tetraene?
12-hydroperoxyicosa-5,8,10,14-tetraene has a molecular weight of 306.49 g/mol, XLogP of 6.62, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroperoxyicosa-5,8,10,14-tetraene is sourced from PubChem (CID 88652466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).