icosa-1,9,19-triene

C20H36 — CID 57001912

IUPACicosa-1,9,19-triene
SMILESC=CCCCCCCC=CCCCCCCCCC=C
InChIInChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-4,17,19H,1-2,5-16,18,20H2
InChIKeyLYQLJLYQVYPWTK-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.38
Rot. Bonds16

About icosa-1,9,19-triene

icosa-1,9,19-triene (PubChem CID 57001912) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is icosa-1,9,19-triene.

Molecular Properties

Compound Nameicosa-1,9,19-triene
PubChem CID57001912
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Nameicosa-1,9,19-triene
SMILESC=CCCCCCCC=CCCCCCCCCC=C
InChIInChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-4,17,19H,1-2,5-16,18,20H2
InChIKeyLYQLJLYQVYPWTK-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze icosa-1,9,19-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptahexaconta-1,23,66-triene
CID 57275880
dodeca-1,6,11-triene
CID 548864
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
tetradeca-1,10-diene
CID 141056381
heptadeca-1,7-diene
CID 57204265
(11E)-pentadeca-1,11-diene
CID 15206768
pentacosa-1,16-diene
CID 57082437
triaconta-1,19-diene
CID 54007897
(3E)-undeca-3,10-dien-1-amine
CID 107010613
pentaconta-1,25-diene
CID 90941740
(10Z)-docosa-10,21-dien-1-amine
CID 153323384

Frequently Asked Questions

What is the IUPAC name of icosa-1,9,19-triene?
The IUPAC name of icosa-1,9,19-triene (CID 57001912) is icosa-1,9,19-triene.
What is the SMILES notation for icosa-1,9,19-triene?
The canonical SMILES for icosa-1,9,19-triene is C=CCCCCCCC=CCCCCCCCCC=C.
What is the InChIKey of icosa-1,9,19-triene?
The InChIKey is LYQLJLYQVYPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-4,17,19H,1-2,5-16,18,20H2.
What are the key properties of icosa-1,9,19-triene?
icosa-1,9,19-triene has a molecular weight of 276.51 g/mol, XLogP of 7.38, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-1,9,19-triene is sourced from PubChem (CID 57001912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).