4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine

C13H23NO2 — CID 138636356

IUPAC4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
SMILESC/C=C(\C=C/CN1CCOCC1)C(C)OC
InChIInChI=1S/C13H23NO2/c1-4-13(12(2)15-3)6-5-7-14-8-10-16-11-9-14/h4-6,12H,7-11H2,1-3H3/b6-5-,13-4+
InChIKeyZXNDEVHJIZWIRS-BDNXDWBHSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds5

About 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine

4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine (PubChem CID 138636356) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine.

Molecular Properties

Compound Name4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
PubChem CID138636356
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
SMILESC/C=C(\C=C/CN1CCOCC1)C(C)OC
InChIInChI=1S/C13H23NO2/c1-4-13(12(2)15-3)6-5-7-14-8-10-16-11-9-14/h4-6,12H,7-11H2,1-3H3/b6-5-,13-4+
InChIKeyZXNDEVHJIZWIRS-BDNXDWBHSA-N
XLogP1.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
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-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine?
The IUPAC name of 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine (CID 138636356) is 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine.
What is the SMILES notation for 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine?
The canonical SMILES for 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine is C/C=C(\C=C/CN1CCOCC1)C(C)OC.
What is the InChIKey of 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine?
The InChIKey is ZXNDEVHJIZWIRS-BDNXDWBHSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-13(12(2)15-3)6-5-7-14-8-10-16-11-9-14/h4-6,12H,7-11H2,1-3H3/b6-5-,13-4+.
What are the key properties of 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine?
4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine has a molecular weight of 225.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine is sourced from PubChem (CID 138636356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).