5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine

C17H25NO — CID 6446517

IUPAC5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine
SMILESCCc1ccc(OC/C=C(\C)CCC=C(C)C)cn1
InChIInChI=1S/C17H25NO/c1-5-16-9-10-17(13-18-16)19-12-11-15(4)8-6-7-14(2)3/h7,9-11,13H,5-6,8,12H2,1-4H3/b15-11+
InChIKeyXRJFANPLZGRFSH-RVDMUPIBSA-N
MW259.39 g/mol
LogP4.72
Rot. Bonds7

About 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine

5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine (PubChem CID 6446517) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine.

Molecular Properties

Compound Name5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine
PubChem CID6446517
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine
SMILESCCc1ccc(OC/C=C(\C)CCC=C(C)C)cn1
InChIInChI=1S/C17H25NO/c1-5-16-9-10-17(13-18-16)19-12-11-15(4)8-6-7-14(2)3/h7,9-11,13H,5-6,8,12H2,1-4H3/b15-11+
InChIKeyXRJFANPLZGRFSH-RVDMUPIBSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.72
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 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine?
The IUPAC name of 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine (CID 6446517) is 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine.
What is the SMILES notation for 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine?
The canonical SMILES for 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine is CCc1ccc(OC/C=C(\C)CCC=C(C)C)cn1.
What is the InChIKey of 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine?
The InChIKey is XRJFANPLZGRFSH-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-16-9-10-17(13-18-16)19-12-11-15(4)8-6-7-14(2)3/h7,9-11,13H,5-6,8,12H2,1-4H3/b15-11+.
What are the key properties of 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine?
5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine has a molecular weight of 259.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine is sourced from PubChem (CID 6446517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).