4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine

C16H31NO — CID 166864833

IUPAC4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine
SMILESCCC(C)C/C=C/C(C)(CC)CN1CCOCC1
InChIInChI=1S/C16H31NO/c1-5-15(3)8-7-9-16(4,6-2)14-17-10-12-18-13-11-17/h7,9,15H,5-6,8,10-14H2,1-4H3/b9-7+
InChIKeyUBOIAGUBIQNBFE-VQHVLOKHSA-N
MW253.43 g/mol
LogP3.73
Rot. Bonds7

About 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine

4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine (PubChem CID 166864833) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine
PubChem CID166864833
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine
SMILESCCC(C)C/C=C/C(C)(CC)CN1CCOCC1
InChIInChI=1S/C16H31NO/c1-5-15(3)8-7-9-16(4,6-2)14-17-10-12-18-13-11-17/h7,9,15H,5-6,8,10-14H2,1-4H3/b9-7+
InChIKeyUBOIAGUBIQNBFE-VQHVLOKHSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine?
The IUPAC name of 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine (CID 166864833) is 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine?
The canonical SMILES for 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine is CCC(C)C/C=C/C(C)(CC)CN1CCOCC1.
What is the InChIKey of 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine?
The InChIKey is UBOIAGUBIQNBFE-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-15(3)8-7-9-16(4,6-2)14-17-10-12-18-13-11-17/h7,9,15H,5-6,8,10-14H2,1-4H3/b9-7+.
What are the key properties of 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine?
4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine has a molecular weight of 253.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-ethyl-2,6-dimethyloct-3-enyl]morpholine is sourced from PubChem (CID 166864833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).