4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine

C13H25NO2 — CID 59434655

IUPAC4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
SMILESCC(C)C/C=C/COCCN1CCOCC1
InChIInChI=1S/C13H25NO2/c1-13(2)5-3-4-9-15-10-6-14-7-11-16-12-8-14/h3-4,13H,5-12H2,1-2H3/b4-3+
InChIKeyQEVMCAQVVIGRHD-ONEGZZNKSA-N
MW227.35 g/mol
LogP1.94
Rot. Bonds7

About 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine

4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine (PubChem CID 59434655) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
PubChem CID59434655
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
SMILESCC(C)C/C=C/COCCN1CCOCC1
InChIInChI=1S/C13H25NO2/c1-13(2)5-3-4-9-15-10-6-14-7-11-16-12-8-14/h3-4,13H,5-12H2,1-2H3/b4-3+
InChIKeyQEVMCAQVVIGRHD-ONEGZZNKSA-N
XLogP1.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine (CID 59434655) is 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine is CC(C)C/C=C/COCCN1CCOCC1.
What is the InChIKey of 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine?
The InChIKey is QEVMCAQVVIGRHD-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)5-3-4-9-15-10-6-14-7-11-16-12-8-14/h3-4,13H,5-12H2,1-2H3/b4-3+.
What are the key properties of 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine?
4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine is sourced from PubChem (CID 59434655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).