22-hydroxy-4-propyldocosa-11,14-dienoic acid

C25H46O3 — CID 54529033

IUPAC22-hydroxy-4-propyldocosa-11,14-dienoic acid
SMILESCCCC(CCCCCCC=CCC=CCCCCCCCO)CCC(=O)O
InChIInChI=1S/C25H46O3/c1-2-19-24(21-22-25(27)28)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-26/h4-7,24,26H,2-3,8-23H2,1H3,(H,27,28)
InChIKeyYVEDHMZDOAMWFO-UHFFFAOYSA-N
MW394.64 g/mol
LogP7.44
Rot. Bonds21

About 22-hydroxy-4-propyldocosa-11,14-dienoic acid

22-hydroxy-4-propyldocosa-11,14-dienoic acid (PubChem CID 54529033) has the molecular formula C25H46O3 and a molecular weight of 394.64 g/mol. Its IUPAC name is 22-hydroxy-4-propyldocosa-11,14-dienoic acid.

Molecular Properties

Compound Name22-hydroxy-4-propyldocosa-11,14-dienoic acid
PubChem CID54529033
Molecular FormulaC25H46O3
Molecular Weight394.64 g/mol
Exact Mass394.34
IUPAC Name22-hydroxy-4-propyldocosa-11,14-dienoic acid
SMILESCCCC(CCCCCCC=CCC=CCCCCCCCO)CCC(=O)O
InChIInChI=1S/C25H46O3/c1-2-19-24(21-22-25(27)28)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-26/h4-7,24,26H,2-3,8-23H2,1H3,(H,27,28)
InChIKeyYVEDHMZDOAMWFO-UHFFFAOYSA-N
XLogP7.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(13E,16E)-4-butyl-26-hydroxyhexacosa-13,16-dienoic acid
CID 18981419
(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid
CID 18981404
(Z)-19-hydroxy-18,18-bis(hydroxymethyl)-15-propylnonadec-9-enoic acid
CID 175336042
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
19-propyltritriaconta-6,9,24-triene
CID 54372361
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
16-hydroxy-4-methylhexadeca-8,11-dienoic acid
CID 54532471
2-(hydroxymethyl)pentane-1,5-diol;octadec-9-enoic acid
CID 173033204
docosanoic acid;(Z)-docos-13-en-1-ol
CID 174511877
(Z)-docos-13-en-1-ol;tetradecanoic acid
CID 175083189

Frequently Asked Questions

What is the IUPAC name of 22-hydroxy-4-propyldocosa-11,14-dienoic acid?
The IUPAC name of 22-hydroxy-4-propyldocosa-11,14-dienoic acid (CID 54529033) is 22-hydroxy-4-propyldocosa-11,14-dienoic acid.
What is the SMILES notation for 22-hydroxy-4-propyldocosa-11,14-dienoic acid?
The canonical SMILES for 22-hydroxy-4-propyldocosa-11,14-dienoic acid is CCCC(CCCCCCC=CCC=CCCCCCCCO)CCC(=O)O.
What is the InChIKey of 22-hydroxy-4-propyldocosa-11,14-dienoic acid?
The InChIKey is YVEDHMZDOAMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O3/c1-2-19-24(21-22-25(27)28)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-26/h4-7,24,26H,2-3,8-23H2,1H3,(H,27,28).
What are the key properties of 22-hydroxy-4-propyldocosa-11,14-dienoic acid?
22-hydroxy-4-propyldocosa-11,14-dienoic acid has a molecular weight of 394.64 g/mol, XLogP of 7.44, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-hydroxy-4-propyldocosa-11,14-dienoic acid is sourced from PubChem (CID 54529033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).