4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine

C20H33NO2 — CID 177476326

IUPAC4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine
SMILESCCOCC(=C/N1CCOCC1)/C(=C/C(C)C)C1=CCCCC1
InChIInChI=1S/C20H33NO2/c1-4-22-16-19(15-21-10-12-23-13-11-21)20(14-17(2)3)18-8-6-5-7-9-18/h8,14-15,17H,4-7,9-13,16H2,1-3H3/b19-15-,20-14+
InChIKeyZUDUAEKZFIMMPH-WSHWHQMZSA-N
MW319.49 g/mol
LogP4.32
Rot. Bonds7

About 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine

4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine (PubChem CID 177476326) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine
PubChem CID177476326
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine
SMILESCCOCC(=C/N1CCOCC1)/C(=C/C(C)C)C1=CCCCC1
InChIInChI=1S/C20H33NO2/c1-4-22-16-19(15-21-10-12-23-13-11-21)20(14-17(2)3)18-8-6-5-7-9-18/h8,14-15,17H,4-7,9-13,16H2,1-3H3/b19-15-,20-14+
InChIKeyZUDUAEKZFIMMPH-WSHWHQMZSA-N
XLogP4.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine (CID 177476326) is 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine is CCOCC(=C/N1CCOCC1)/C(=C/C(C)C)C1=CCCCC1.
What is the InChIKey of 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine?
The InChIKey is ZUDUAEKZFIMMPH-WSHWHQMZSA-N. The full InChI is InChI=1S/C20H33NO2/c1-4-22-16-19(15-21-10-12-23-13-11-21)20(14-17(2)3)18-8-6-5-7-9-18/h8,14-15,17H,4-7,9-13,16H2,1-3H3/b19-15-,20-14+.
What are the key properties of 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine?
4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine has a molecular weight of 319.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine is sourced from PubChem (CID 177476326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).