icosa-5,8,11,14-tetraenoic acid;piperazine

C24H42N2O2 — CID 173189354

IUPACicosa-5,8,11,14-tetraenoic acid;piperazine
SMILESC1CNCCN1.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H32O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-6-4-3-5-1/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);5-6H,1-4H2
InChIKeyYMHVLVCKAQXANY-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.40
Rot. Bonds14

About icosa-5,8,11,14-tetraenoic acid;piperazine

icosa-5,8,11,14-tetraenoic acid;piperazine (PubChem CID 173189354) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is icosa-5,8,11,14-tetraenoic acid;piperazine.

Molecular Properties

Compound Nameicosa-5,8,11,14-tetraenoic acid;piperazine
PubChem CID173189354
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Nameicosa-5,8,11,14-tetraenoic acid;piperazine
SMILESC1CNCCN1.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H32O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-6-4-3-5-1/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);5-6H,1-4H2
InChIKeyYMHVLVCKAQXANY-UHFFFAOYSA-N
XLogP5.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(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
octadeca-5,8,12-trienoic acid
CID 173410931
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
CID 87290377
CID 87290377
potassium;hydride;icosa-5,8,11,14-tetraenoic acid
CID 173062804
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416

Frequently Asked Questions

What is the IUPAC name of icosa-5,8,11,14-tetraenoic acid;piperazine?
The IUPAC name of icosa-5,8,11,14-tetraenoic acid;piperazine (CID 173189354) is icosa-5,8,11,14-tetraenoic acid;piperazine.
What is the SMILES notation for icosa-5,8,11,14-tetraenoic acid;piperazine?
The canonical SMILES for icosa-5,8,11,14-tetraenoic acid;piperazine is C1CNCCN1.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.
What is the InChIKey of icosa-5,8,11,14-tetraenoic acid;piperazine?
The InChIKey is YMHVLVCKAQXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-6-4-3-5-1/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);5-6H,1-4H2.
What are the key properties of icosa-5,8,11,14-tetraenoic acid;piperazine?
icosa-5,8,11,14-tetraenoic acid;piperazine has a molecular weight of 390.61 g/mol, XLogP of 5.40, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-5,8,11,14-tetraenoic acid;piperazine is sourced from PubChem (CID 173189354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).