1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene

C18H24O — CID 170060920

IUPAC1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene
SMILESC=COc1ccc(/C=C/C(C)CCC=C(C)C)cc1
InChIInChI=1S/C18H24O/c1-5-19-18-13-11-17(12-14-18)10-9-16(4)8-6-7-15(2)3/h5,7,9-14,16H,1,6,8H2,2-4H3/b10-9+
InChIKeyRSHOXOQSNPNAJT-MDZDMXLPSA-N
MW256.39 g/mol
LogP5.60
Rot. Bonds7

About 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene

1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene (PubChem CID 170060920) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene.

Molecular Properties

Compound Name1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene
PubChem CID170060920
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene
SMILESC=COc1ccc(/C=C/C(C)CCC=C(C)C)cc1
InChIInChI=1S/C18H24O/c1-5-19-18-13-11-17(12-14-18)10-9-16(4)8-6-7-15(2)3/h5,7,9-14,16H,1,6,8H2,2-4H3/b10-9+
InChIKeyRSHOXOQSNPNAJT-MDZDMXLPSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene?
The IUPAC name of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene (CID 170060920) is 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene.
What is the SMILES notation for 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene?
The canonical SMILES for 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene is C=COc1ccc(/C=C/C(C)CCC=C(C)C)cc1.
What is the InChIKey of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene?
The InChIKey is RSHOXOQSNPNAJT-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H24O/c1-5-19-18-13-11-17(12-14-18)10-9-16(4)8-6-7-15(2)3/h5,7,9-14,16H,1,6,8H2,2-4H3/b10-9+.
What are the key properties of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene?
1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene has a molecular weight of 256.39 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene is sourced from PubChem (CID 170060920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).