icosa-2,10,18-triene

C20H36 — CID 74063823

IUPACicosa-2,10,18-triene
SMILESCC=CCCCCCCC=CCCCCCCC=CC
InChIInChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-6,19-20H,7-18H2,1-2H3
InChIKeyMZMQPUXUNMSHIY-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.38
Rot. Bonds14

About icosa-2,10,18-triene

icosa-2,10,18-triene (PubChem CID 74063823) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is icosa-2,10,18-triene.

Molecular Properties

Compound Nameicosa-2,10,18-triene
PubChem CID74063823
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Nameicosa-2,10,18-triene
SMILESCC=CCCCCCCC=CCCCCCCC=CC
InChIInChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-6,19-20H,7-18H2,1-2H3
InChIKeyMZMQPUXUNMSHIY-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
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-2,10,18-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

hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,10-diene
CID 174048350
pentadeca-2,6-diene
CID 165019979
(Z)-icos-2-ene
CID 5352524
10-chlorodec-2-ene
CID 54299561
dec-8-ene-1-thiol
CID 90992267
(E)-tetradec-12-enal
CID 5353009
12-chlorododec-2-ene
CID 56977389
trideca-1,4,11-triene
CID 172759150

Frequently Asked Questions

What is the IUPAC name of icosa-2,10,18-triene?
The IUPAC name of icosa-2,10,18-triene (CID 74063823) is icosa-2,10,18-triene.
What is the SMILES notation for icosa-2,10,18-triene?
The canonical SMILES for icosa-2,10,18-triene is CC=CCCCCCCC=CCCCCCCC=CC.
What is the InChIKey of icosa-2,10,18-triene?
The InChIKey is MZMQPUXUNMSHIY-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/h3-6,19-20H,7-18H2,1-2H3.
What are the key properties of icosa-2,10,18-triene?
icosa-2,10,18-triene has a molecular weight of 276.51 g/mol, XLogP of 7.38, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-2,10,18-triene is sourced from PubChem (CID 74063823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).