4-[(1E,3E)-octa-1,3-dienyl]morpholine

C12H21NO — CID 23467545

IUPAC4-[(1E,3E)-octa-1,3-dienyl]morpholine
SMILESCCCC/C=C/C=C/N1CCOCC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h5-8H,2-4,9-12H2,1H3/b6-5+,8-7+
InChIKeyCXSBHBSHUOGOLX-BSWSSELBSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds5

About 4-[(1E,3E)-octa-1,3-dienyl]morpholine

4-[(1E,3E)-octa-1,3-dienyl]morpholine (PubChem CID 23467545) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(1E,3E)-octa-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E,3E)-octa-1,3-dienyl]morpholine
PubChem CID23467545
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(1E,3E)-octa-1,3-dienyl]morpholine
SMILESCCCC/C=C/C=C/N1CCOCC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h5-8H,2-4,9-12H2,1H3/b6-5+,8-7+
InChIKeyCXSBHBSHUOGOLX-BSWSSELBSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-octa-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E,3E)-octa-1,3-dienyl]morpholine (CID 23467545) is 4-[(1E,3E)-octa-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E,3E)-octa-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E,3E)-octa-1,3-dienyl]morpholine is CCCC/C=C/C=C/N1CCOCC1.
What is the InChIKey of 4-[(1E,3E)-octa-1,3-dienyl]morpholine?
The InChIKey is CXSBHBSHUOGOLX-BSWSSELBSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h5-8H,2-4,9-12H2,1H3/b6-5+,8-7+.
What are the key properties of 4-[(1E,3E)-octa-1,3-dienyl]morpholine?
4-[(1E,3E)-octa-1,3-dienyl]morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-octa-1,3-dienyl]morpholine is sourced from PubChem (CID 23467545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).