(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid

C22H40O5 — CID 156679677

IUPAC(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C(O)C(O)C(O)CCC(C)(C)C(=O)O
InChIInChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(25)19(24)16-17-22(2,3)21(26)27/h11-12,14-15,18-20,23-25H,4-10,13,16-17H2,1-3H3,(H,26,27)/b12-11-,15-14-
InChIKeyCFCHXSMUIIVIMA-HDXUUTQWSA-N
MW384.56 g/mol
LogP4.21
Rot. Bonds16

About (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid

(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid (PubChem CID 156679677) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid.

Molecular Properties

Compound Name(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid
PubChem CID156679677
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C(O)C(O)C(O)CCC(C)(C)C(=O)O
InChIInChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(25)19(24)16-17-22(2,3)21(26)27/h11-12,14-15,18-20,23-25H,4-10,13,16-17H2,1-3H3,(H,26,27)/b12-11-,15-14-
InChIKeyCFCHXSMUIIVIMA-HDXUUTQWSA-N
XLogP4.21
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-9,10,11-trihydroxy-2,2-dimethyloctadec-12-enoic acid
CID 156679594
(7E,11Z,14Z)-5,6-dihydroxy-2,2-dimethyl-9-oxoicosa-7,11,14-trienoic acid
CID 156679724
2,2-dimethylicosa-5,8,11,14-tetraenoic acid
CID 54277636
(7R,8R,9S)-7,8,9-trihydroxyhexadec-10-enoic acid
CID 163042418
2-methyl-2-octadeca-9,12-dienylpropanedioic acid
CID 173462523
(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
CID 122446351
(9Z,12Z)-2-(dihydroxymethyl)octadeca-9,12-dienoic acid
CID 141316227
(9Z,12Z)-2-(hydroxymethyl)octadeca-9,12-dienoic acid
CID 139897007
bis((7E,11Z)-5,6-dihydroxy-2,2-dimethyl-9-oxoicosa-7,11-dienoic acid);(7E,11Z)-5,6-dihydroxy-9-oxoicosa-7,11-dienoic acid;(7E,11Z)-5,6,9-trihydroxy-9-methylicosa-7,11-dienoic acid;(8Z,11Z)-5,6,7-trihydroxy-7-methylicosa-8,11-dienoic acid;bis((7E,11Z)-5,6,9-trihydroxy-2,2,9-trimethylicosa-7,11-dienoic acid);bis((8Z,11Z)-5,6,7-trihydroxy-2,2,7-trimethylicosa-8,11-dienoic acid)
CID 157245634
19,21-di(heptadecyl)nonatriaconta-6,9,30,33-tetraen-20-one
CID 123225204
(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol
CID 102459917
(E)-9,12,13-trihydroxy-2,2-dimethyloctadec-10-enoic acid
CID 156679628

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid?
The IUPAC name of (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid (CID 156679677) is (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid.
What is the SMILES notation for (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid?
The canonical SMILES for (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid is CCCCCCCC/C=C\C/C=C\C(O)C(O)C(O)CCC(C)(C)C(=O)O.
What is the InChIKey of (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid?
The InChIKey is CFCHXSMUIIVIMA-HDXUUTQWSA-N. The full InChI is InChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(25)19(24)16-17-22(2,3)21(26)27/h11-12,14-15,18-20,23-25H,4-10,13,16-17H2,1-3H3,(H,26,27)/b12-11-,15-14-.
What are the key properties of (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid?
(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid has a molecular weight of 384.56 g/mol, XLogP of 4.21, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid is sourced from PubChem (CID 156679677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).