(E)-5-methoxyoct-4-en-3-imine

C9H17NO — CID 91483796

IUPAC(E)-5-methoxyoct-4-en-3-imine
SMILES[H]/N=C(/C=C(\CCC)OC)CC
InChIInChI=1S/C9H17NO/c1-4-6-9(11-3)7-8(10)5-2/h7,10H,4-6H2,1-3H3/b9-7+,10-8+
InChIKeyMMSZUWDXXDSLOC-FIFLTTCUSA-N
MW155.24 g/mol
LogP2.75
Rot. Bonds5

About (E)-5-methoxyoct-4-en-3-imine

(E)-5-methoxyoct-4-en-3-imine (PubChem CID 91483796) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-5-methoxyoct-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-methoxyoct-4-en-3-imine
PubChem CID91483796
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-5-methoxyoct-4-en-3-imine
SMILES[H]/N=C(/C=C(\CCC)OC)CC
InChIInChI=1S/C9H17NO/c1-4-6-9(11-3)7-8(10)5-2/h7,10H,4-6H2,1-3H3/b9-7+,10-8+
InChIKeyMMSZUWDXXDSLOC-FIFLTTCUSA-N
XLogP2.75
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methoxypent-3-en-2-imine
CID 12462133
2-Methoxycyclohexa-2,4-dien-1-imine
CID 68995450
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
7-methyl-3,4-dihydro-2H-oxepin-5-imine
CID 90907504
4-Methoxypent-3-en-2-imine
CID 91319087
(Z)-4-methoxy-5,5-dimethylhex-3-en-2-imine
CID 117717664
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
3-(2-Methylpropoxy)cyclohepta-2,6-dien-1-imine
CID 123216771
(E)-4-methoxyhex-3-en-2-imine
CID 123377670
(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine
CID 123561116
(E)-5-methoxy-3-methylidenehex-4-en-2-imine
CID 123829590
3-Methoxy-4-methylcyclohepta-2,6-dien-1-imine
CID 123985714

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxyoct-4-en-3-imine?
The IUPAC name of (E)-5-methoxyoct-4-en-3-imine (CID 91483796) is (E)-5-methoxyoct-4-en-3-imine.
What is the SMILES notation for (E)-5-methoxyoct-4-en-3-imine?
The canonical SMILES for (E)-5-methoxyoct-4-en-3-imine is [H]/N=C(/C=C(\CCC)OC)CC.
What is the InChIKey of (E)-5-methoxyoct-4-en-3-imine?
The InChIKey is MMSZUWDXXDSLOC-FIFLTTCUSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-9(11-3)7-8(10)5-2/h7,10H,4-6H2,1-3H3/b9-7+,10-8+.
What are the key properties of (E)-5-methoxyoct-4-en-3-imine?
(E)-5-methoxyoct-4-en-3-imine has a molecular weight of 155.24 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxyoct-4-en-3-imine is sourced from PubChem (CID 91483796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).