4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine

C14H25NO2 — CID 2839997

IUPAC4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine
SMILESCC(CC#CCN1CCOCC1)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
InChIKeyFOZKROVXQWFXRL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.92
Rot. Bonds3

About 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine

4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine (PubChem CID 2839997) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine
PubChem CID2839997
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine
SMILESCC(CC#CCN1CCOCC1)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
InChIKeyFOZKROVXQWFXRL-UHFFFAOYSA-N
XLogP1.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine?
The IUPAC name of 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine (CID 2839997) is 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine.
What is the SMILES notation for 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine?
The canonical SMILES for 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine is CC(CC#CCN1CCOCC1)OC(C)(C)C.
What is the InChIKey of 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine?
The InChIKey is FOZKROVXQWFXRL-UHFFFAOYSA-N. 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.
What are the key properties of 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine?
4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine is sourced from PubChem (CID 2839997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).