(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid

C24H36O6 — CID 172701312

IUPAC(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid
SMILESCC(O)CCCC=CC=CC(O)CC(O)CC=C/C=C/C(O)CC=CC=CC(=O)O
InChIInChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,8-12,14,16,18,20-23,25-28H,3,7,13,15,17,19H2,1H3,(H,29,30)/b4-2?,10-6?,11-5?,14-9+,16-8?,18-12?
InChIKeyCZSPLEVIVZNWLV-CAOGAUQTSA-N
MW420.55 g/mol
LogP3.21
Rot. Bonds16

About (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid

(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid (PubChem CID 172701312) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol. Its IUPAC name is (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid.

Molecular Properties

Compound Name(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid
PubChem CID172701312
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid
SMILESCC(O)CCCC=CC=CC(O)CC(O)CC=C/C=C/C(O)CC=CC=CC(=O)O
InChIInChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,8-12,14,16,18,20-23,25-28H,3,7,13,15,17,19H2,1H3,(H,29,30)/b4-2?,10-6?,11-5?,14-9+,16-8?,18-12?
InChIKeyCZSPLEVIVZNWLV-CAOGAUQTSA-N
XLogP3.21
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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,9E,11E,13S)-13-hydroxytetradeca-2,4,9,11-tetraenoic acid
CID 12988297
(2Z,4E,6R,9R)-6,9-dihydroxydeca-2,4-dienoic acid
CID 139589661
(17S)-17-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 54157203
19-methylicosa-2,4-dienoic acid
CID 170315585
20-methylhenicosa-2,4-dienoic acid
CID 118268246
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104
(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
CID 25016840
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
(2Z,5Z,7E,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
CID 14056119
(4Z,6E,10Z,12Z,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 25020398
(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 11667680
20-methylhenicosa-2,4-dienedioic acid
CID 118414903

Frequently Asked Questions

What is the IUPAC name of (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid?
The IUPAC name of (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid (CID 172701312) is (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid.
What is the SMILES notation for (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid?
The canonical SMILES for (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid is CC(O)CCCC=CC=CC(O)CC(O)CC=C/C=C/C(O)CC=CC=CC(=O)O.
What is the InChIKey of (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid?
The InChIKey is CZSPLEVIVZNWLV-CAOGAUQTSA-N. The full InChI is InChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,8-12,14,16,18,20-23,25-28H,3,7,13,15,17,19H2,1H3,(H,29,30)/b4-2?,10-6?,11-5?,14-9+,16-8?,18-12?.
What are the key properties of (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid?
(8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid has a molecular weight of 420.55 g/mol, XLogP of 3.21, 16 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid is sourced from PubChem (CID 172701312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).