2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid

C22H38O3 — CID 138680323

IUPAC2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid
SMILESCCC/C=C\C/C=C\C/C=C\CCCCCCCOC(CC)C(=O)O
InChIInChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21(4-2)22(23)24/h6-7,9-10,12-13,21H,3-5,8,11,14-20H2,1-2H3,(H,23,24)/b7-6-,10-9-,13-12-
InChIKeySHYZYUJGOUIYQG-QNEBEIHSSA-N
MW350.54 g/mol
LogP6.46
Rot. Bonds17

About 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid

2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid (PubChem CID 138680323) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid.

Molecular Properties

Compound Name2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid
PubChem CID138680323
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid
SMILESCCC/C=C\C/C=C\C/C=C\CCCCCCCOC(CC)C(=O)O
InChIInChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21(4-2)22(23)24/h6-7,9-10,12-13,21H,3-5,8,11,14-20H2,1-2H3,(H,23,24)/b7-6-,10-9-,13-12-
InChIKeySHYZYUJGOUIYQG-QNEBEIHSSA-N
XLogP6.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 56.46
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'}

Analyze 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid with MolForge

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Related Compounds

(2S)-2-icosa-5,8,11,14,17-pentaenoxybutanoic acid
CID 91030738
2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 118643971
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 78210211
2-tetradec-6-enoxybutanoic acid
CID 90725661
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid;2-methylpropan-2-amine
CID 173108193
potassium 2-icosa-5,8,11,14,17-pentaenoxybutanoate
CID 173108127
2-[(E)-non-2-enoxy]butanoic acid
CID 175496576
methyl (9Z,12Z)-octadeca-9,12-dienoate;(Z)-2-[(9Z,12Z)-octadeca-9,12-dienoxy]octadec-9-enoic acid;(Z)-octadec-9-enoic acid
CID 175767549
[3-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoyloxy]-2-oxopropyl] 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoate
CID 134450536
phenyl 2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]butanoate
CID 141307455
2-(5-aminopentoxy)butanoic acid
CID 82352847
propyl (9Z,12Z)-hexadeca-9,12-dienoate
CID 91694369

Frequently Asked Questions

What is the IUPAC name of 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid?
The IUPAC name of 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid (CID 138680323) is 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid.
What is the SMILES notation for 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid?
The canonical SMILES for 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid is CCC/C=C\C/C=C\C/C=C\CCCCCCCOC(CC)C(=O)O.
What is the InChIKey of 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid?
The InChIKey is SHYZYUJGOUIYQG-QNEBEIHSSA-N. The full InChI is InChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21(4-2)22(23)24/h6-7,9-10,12-13,21H,3-5,8,11,14-20H2,1-2H3,(H,23,24)/b7-6-,10-9-,13-12-.
What are the key properties of 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid?
2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid has a molecular weight of 350.54 g/mol, XLogP of 6.46, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid is sourced from PubChem (CID 138680323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).