4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine

C21H33NO2 — CID 155805274

IUPAC4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCOCC1
InChIInChI=1S/C21H33NO2/c1-19(8-4-10-21-11-15-24-18-21)6-3-7-20(2)9-5-12-22-13-16-23-17-14-22/h7-8,11,15,18H,3-6,9-10,12-14,16-17H2,1-2H3/b19-8+,20-7+
InChIKeyJIIGNEHBPAVUNX-XVWUSZKISA-N
MW331.50 g/mol
LogP5.00
Rot. Bonds10

About 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine

4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine (PubChem CID 155805274) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine.

Molecular Properties

Compound Name4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine
PubChem CID155805274
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCOCC1
InChIInChI=1S/C21H33NO2/c1-19(8-4-10-21-11-15-24-18-21)6-3-7-20(2)9-5-12-22-13-16-23-17-14-22/h7-8,11,15,18H,3-6,9-10,12-14,16-17H2,1-2H3/b19-8+,20-7+
InChIKeyJIIGNEHBPAVUNX-XVWUSZKISA-N
XLogP5.00
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine?
The IUPAC name of 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine (CID 155805274) is 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine.
What is the SMILES notation for 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine?
The canonical SMILES for 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine is C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCOCC1.
What is the InChIKey of 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine?
The InChIKey is JIIGNEHBPAVUNX-XVWUSZKISA-N. The full InChI is InChI=1S/C21H33NO2/c1-19(8-4-10-21-11-15-24-18-21)6-3-7-20(2)9-5-12-22-13-16-23-17-14-22/h7-8,11,15,18H,3-6,9-10,12-14,16-17H2,1-2H3/b19-8+,20-7+.
What are the key properties of 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine?
4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine has a molecular weight of 331.50 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]morpholine is sourced from PubChem (CID 155805274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).