(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid

C22H32O3 — CID 70674061

IUPAC(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
SMILESCCCCCCCCC(O)/C=C/C=C\C=C\C=C\C=C/C=C/C(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-11,13-14,16-17,19-21,23H,2-5,12,15,18H2,1H3,(H,24,25)/b8-6+,9-7+,13-10-,14-11-,19-16+,20-17+
InChIKeyRLCOKXQEBHOCJC-AWOUZFOESA-N
MW344.50 g/mol
LogP5.52
Rot. Bonds14

About (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid

(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid (PubChem CID 70674061) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid.

Molecular Properties

Compound Name(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
PubChem CID70674061
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
SMILESCCCCCCCCC(O)/C=C/C=C\C=C\C=C\C=C/C=C/C(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-11,13-14,16-17,19-21,23H,2-5,12,15,18H2,1H3,(H,24,25)/b8-6+,9-7+,13-10-,14-11-,19-16+,20-17+
InChIKeyRLCOKXQEBHOCJC-AWOUZFOESA-N
XLogP5.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 87235348
4-hydroxyheptacos-2-enoic acid
CID 88698148
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
6,35-dihydroxypentatriaconta-2,4-dienoic acid
CID 138677863
ethyl 14-hydroxydocosa-2,4,6,8,10,12-hexaenoate
CID 73432297
10-hydroperoxydocosa-2,4,6,8-tetraenoic acid
CID 169110902
(E)-4-hydroxydec-2-enal
CID 6439956
4-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772
13,14-dihydroxydocosa-2,4,6-trienoic acid
CID 169110942
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
CID 90059451

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
The IUPAC name of (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid (CID 70674061) is (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid.
What is the SMILES notation for (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
The canonical SMILES for (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid is CCCCCCCCC(O)/C=C/C=C\C=C\C=C\C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
The InChIKey is RLCOKXQEBHOCJC-AWOUZFOESA-N. The full InChI is InChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-11,13-14,16-17,19-21,23H,2-5,12,15,18H2,1H3,(H,24,25)/b8-6+,9-7+,13-10-,14-11-,19-16+,20-17+.
What are the key properties of (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid has a molecular weight of 344.50 g/mol, XLogP of 5.52, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid is sourced from PubChem (CID 70674061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).