1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole

C13H20N2 — CID 13309275

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/Cn1ccnc1
InChIInChI=1S/C13H20N2/c1-12(2)5-4-6-13(3)7-9-15-10-8-14-11-15/h5,7-8,10-11H,4,6,9H2,1-3H3/b13-7+
InChIKeyUAGKQHUXYMRQOV-NTUHNPAUSA-N
MW204.32 g/mol
LogP3.58
Rot. Bonds5

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole

1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole (PubChem CID 13309275) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole
PubChem CID13309275
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/Cn1ccnc1
InChIInChI=1S/C13H20N2/c1-12(2)5-4-6-13(3)7-9-15-10-8-14-11-15/h5,7-8,10-11H,4,6,9H2,1-3H3/b13-7+
InChIKeyUAGKQHUXYMRQOV-NTUHNPAUSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole (CID 13309275) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole is CC(C)=CCC/C(C)=C/Cn1ccnc1.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole?
The InChIKey is UAGKQHUXYMRQOV-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H20N2/c1-12(2)5-4-6-13(3)7-9-15-10-8-14-11-15/h5,7-8,10-11H,4,6,9H2,1-3H3/b13-7+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole has a molecular weight of 204.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]imidazole is sourced from PubChem (CID 13309275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).