2,2-dimethylicosa-5,8,11,14-tetraenoic acid

C22H36O2 — CID 54277636

IUPAC2,2-dimethylicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCC(C)(C)C(=O)O
InChIInChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21(23)24/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-20H2,1-3H3,(H,23,24)
InChIKeyRONQZGDFZSCUKM-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.85
Rot. Bonds14

About 2,2-dimethylicosa-5,8,11,14-tetraenoic acid

2,2-dimethylicosa-5,8,11,14-tetraenoic acid (PubChem CID 54277636) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2,2-dimethylicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name2,2-dimethylicosa-5,8,11,14-tetraenoic acid
PubChem CID54277636
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name2,2-dimethylicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCC(C)(C)C(=O)O
InChIInChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21(23)24/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-20H2,1-3H3,(H,23,24)
InChIKeyRONQZGDFZSCUKM-UHFFFAOYSA-N
XLogP6.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-2-octadeca-9,12-dienylpropanedioic acid
CID 173462523
(8Z,11Z)-5,6,7-trihydroxy-2,2-dimethylicosa-8,11-dienoic acid
CID 156679677
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
CID 146620095
2,2,3,3-tetramethyloctadec-9-enoic acid
CID 57173563
(7E,11Z,14Z)-5,6-dihydroxy-2,2-dimethyl-9-oxoicosa-7,11,14-trienoic acid
CID 156679724
[(24Z,27Z)-15-carboxytritriaconta-24,27-dien-15-yl]-trimethylazanium
CID 87390525
methyl 2,2-dimethylnonadeca-10,13-dienoate
CID 123723232
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of 2,2-dimethylicosa-5,8,11,14-tetraenoic acid (CID 54277636) is 2,2-dimethylicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for 2,2-dimethylicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for 2,2-dimethylicosa-5,8,11,14-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylicosa-5,8,11,14-tetraenoic acid?
The InChIKey is RONQZGDFZSCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21(23)24/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-20H2,1-3H3,(H,23,24).
What are the key properties of 2,2-dimethylicosa-5,8,11,14-tetraenoic acid?
2,2-dimethylicosa-5,8,11,14-tetraenoic acid has a molecular weight of 332.53 g/mol, XLogP of 6.85, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 54277636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).