2-butyl-1-morpholin-4-yloctan-1-one

C16H31NO2 — CID 129096892

IUPAC2-butyl-1-morpholin-4-yloctan-1-one
SMILESCCCCCCC(CCCC)C(=O)N1CCOCC1
InChIInChI=1S/C16H31NO2/c1-3-5-7-8-10-15(9-6-4-2)16(18)17-11-13-19-14-12-17/h15H,3-14H2,1-2H3
InChIKeyJSWGSCOOWIYRIO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.62
Rot. Bonds9

About 2-butyl-1-morpholin-4-yloctan-1-one

2-butyl-1-morpholin-4-yloctan-1-one (PubChem CID 129096892) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-butyl-1-morpholin-4-yloctan-1-one.

Molecular Properties

Compound Name2-butyl-1-morpholin-4-yloctan-1-one
PubChem CID129096892
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-butyl-1-morpholin-4-yloctan-1-one
SMILESCCCCCCC(CCCC)C(=O)N1CCOCC1
InChIInChI=1S/C16H31NO2/c1-3-5-7-8-10-15(9-6-4-2)16(18)17-11-13-19-14-12-17/h15H,3-14H2,1-2H3
InChIKeyJSWGSCOOWIYRIO-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-morpholin-4-yloctan-1-one?
The IUPAC name of 2-butyl-1-morpholin-4-yloctan-1-one (CID 129096892) is 2-butyl-1-morpholin-4-yloctan-1-one.
What is the SMILES notation for 2-butyl-1-morpholin-4-yloctan-1-one?
The canonical SMILES for 2-butyl-1-morpholin-4-yloctan-1-one is CCCCCCC(CCCC)C(=O)N1CCOCC1.
What is the InChIKey of 2-butyl-1-morpholin-4-yloctan-1-one?
The InChIKey is JSWGSCOOWIYRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-5-7-8-10-15(9-6-4-2)16(18)17-11-13-19-14-12-17/h15H,3-14H2,1-2H3.
What are the key properties of 2-butyl-1-morpholin-4-yloctan-1-one?
2-butyl-1-morpholin-4-yloctan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-morpholin-4-yloctan-1-one is sourced from PubChem (CID 129096892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).