4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane

C18H33NO — CID 143577434

IUPAC4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane
SMILESC=C/C(=C\C(=C)C)C(C)(C)CN1CCOCC1.CCC
InChIInChI=1S/C15H25NO.C3H8/c1-6-14(11-13(2)3)15(4,5)12-16-7-9-17-10-8-16;1-3-2/h6,11H,1-2,7-10,12H2,3-5H3;3H2,1-2H3/b14-11+;
InChIKeyIAUPEVQPFURGGY-JHGYPSGKSA-N
MW279.47 g/mol
LogP4.45
Rot. Bonds5

About 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane

4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane (PubChem CID 143577434) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane.

Molecular Properties

Compound Name4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane
PubChem CID143577434
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane
SMILESC=C/C(=C\C(=C)C)C(C)(C)CN1CCOCC1.CCC
InChIInChI=1S/C15H25NO.C3H8/c1-6-14(11-13(2)3)15(4,5)12-16-7-9-17-10-8-16;1-3-2/h6,11H,1-2,7-10,12H2,3-5H3;3H2,1-2H3/b14-11+;
InChIKeyIAUPEVQPFURGGY-JHGYPSGKSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane?
The IUPAC name of 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane (CID 143577434) is 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane.
What is the SMILES notation for 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane?
The canonical SMILES for 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane is C=C/C(=C\C(=C)C)C(C)(C)CN1CCOCC1.CCC.
What is the InChIKey of 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane?
The InChIKey is IAUPEVQPFURGGY-JHGYPSGKSA-N. The full InChI is InChI=1S/C15H25NO.C3H8/c1-6-14(11-13(2)3)15(4,5)12-16-7-9-17-10-8-16;1-3-2/h6,11H,1-2,7-10,12H2,3-5H3;3H2,1-2H3/b14-11+;.
What are the key properties of 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane?
4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane has a molecular weight of 279.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane is sourced from PubChem (CID 143577434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).