(E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine

C17H22ClNO — CID 10803535

IUPAC(E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine
SMILESCC(C)=CCC/C(C)=C/CO/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO/c1-14(2)5-4-6-15(3)11-12-20-19-13-16-7-9-17(18)10-8-16/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+,19-13+
InChIKeySQSAJJYJHGVXRV-MFVIGFRPSA-N
MW291.82 g/mol
LogP5.38
Rot. Bonds7

About (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine

(E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine (PubChem CID 10803535) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine
PubChem CID10803535
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine
SMILESCC(C)=CCC/C(C)=C/CO/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO/c1-14(2)5-4-6-15(3)11-12-20-19-13-16-7-9-17(18)10-8-16/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+,19-13+
InChIKeySQSAJJYJHGVXRV-MFVIGFRPSA-N
XLogP5.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine (CID 10803535) is (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine is CC(C)=CCC/C(C)=C/CO/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine?
The InChIKey is SQSAJJYJHGVXRV-MFVIGFRPSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-14(2)5-4-6-15(3)11-12-20-19-13-16-7-9-17(18)10-8-16/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+,19-13+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine?
(E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine has a molecular weight of 291.82 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]methanimine is sourced from PubChem (CID 10803535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).