4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium

C14H26NO2+ — CID 2054949

IUPAC4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium
SMILESC[C@H](CC#CC[NH+]1CCOCC1)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-13(17-14(2,3)4)7-5-6-8-15-9-11-16-12-10-15/h13H,7-12H2,1-4H3/p+1/t13-/m1/s1
InChIKeyFOZKROVXQWFXRL-CYBMUJFWSA-O
MW240.37 g/mol
LogP0.50
Rot. Bonds3

About 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium

4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium (PubChem CID 2054949) has the molecular formula C14H26NO2+ and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium
PubChem CID2054949
Molecular FormulaC14H26NO2+
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium
SMILESC[C@H](CC#CC[NH+]1CCOCC1)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-13(17-14(2,3)4)7-5-6-8-15-9-11-16-12-10-15/h13H,7-12H2,1-4H3/p+1/t13-/m1/s1
InChIKeyFOZKROVXQWFXRL-CYBMUJFWSA-O
XLogP0.50
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium?
The IUPAC name of 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium (CID 2054949) is 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium.
What is the SMILES notation for 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium?
The canonical SMILES for 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium is C[C@H](CC#CC[NH+]1CCOCC1)OC(C)(C)C.
What is the InChIKey of 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium?
The InChIKey is FOZKROVXQWFXRL-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H25NO2/c1-13(17-14(2,3)4)7-5-6-8-15-9-11-16-12-10-15/h13H,7-12H2,1-4H3/p+1/t13-/m1/s1.
What are the key properties of 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium?
4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium has a molecular weight of 240.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium is sourced from PubChem (CID 2054949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).