icosa-5,15-dienoate

C20H35O2- — CID 57350570

IUPACicosa-5,15-dienoate
SMILESCCCCC=CCCCCCCCCC=CCCCC(=O)[O-]
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,15-16H,2-4,7-14,17-19H2,1H3,(H,21,22)/p-1
InChIKeyWNCXYEKUZJPVOH-UHFFFAOYSA-M
MW307.50 g/mol
LogP5.33
Rot. Bonds16

About icosa-5,15-dienoate

icosa-5,15-dienoate (PubChem CID 57350570) has the molecular formula C20H35O2- and a molecular weight of 307.50 g/mol. Its IUPAC name is icosa-5,15-dienoate.

Molecular Properties

Compound Nameicosa-5,15-dienoate
PubChem CID57350570
Molecular FormulaC20H35O2-
Molecular Weight307.50 g/mol
Exact Mass307.26
IUPAC Nameicosa-5,15-dienoate
SMILESCCCCC=CCCCCCCCCC=CCCCC(=O)[O-]
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,15-16H,2-4,7-14,17-19H2,1H3,(H,21,22)/p-1
InChIKeyWNCXYEKUZJPVOH-UHFFFAOYSA-M
XLogP5.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
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

(5E,15Z)-icosa-5,15-dienoate
CID 154825312
(E)-octadec-13-enoate
CID 19042742
(E)-tetradec-5-enoate
CID 22378170
(Z)-tetradec-9-enoate
CID 5461014
lanthanum(3+);tris((Z)-tetradec-9-enoate)
CID 158310142
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(E)-triacont-15-enoate
CID 59800253
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426

Frequently Asked Questions

What is the IUPAC name of icosa-5,15-dienoate?
The IUPAC name of icosa-5,15-dienoate (CID 57350570) is icosa-5,15-dienoate.
What is the SMILES notation for icosa-5,15-dienoate?
The canonical SMILES for icosa-5,15-dienoate is CCCCC=CCCCCCCCCC=CCCCC(=O)[O-].
What is the InChIKey of icosa-5,15-dienoate?
The InChIKey is WNCXYEKUZJPVOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,15-16H,2-4,7-14,17-19H2,1H3,(H,21,22)/p-1.
What are the key properties of icosa-5,15-dienoate?
icosa-5,15-dienoate has a molecular weight of 307.50 g/mol, XLogP of 5.33, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-5,15-dienoate is sourced from PubChem (CID 57350570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).