2-octadecan-2-ylmorpholine

C22H45NO — CID 22621458

IUPAC2-octadecan-2-ylmorpholine
SMILESCCCCCCCCCCCCCCCCC(C)C1CNCCO1
InChIInChI=1S/C22H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)22-20-23-18-19-24-22/h21-23H,3-20H2,1-2H3
InChIKeyRHAHHIJNXCQKIG-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.48
Rot. Bonds16

About 2-octadecan-2-ylmorpholine

2-octadecan-2-ylmorpholine (PubChem CID 22621458) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 2-octadecan-2-ylmorpholine.

Molecular Properties

Compound Name2-octadecan-2-ylmorpholine
PubChem CID22621458
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name2-octadecan-2-ylmorpholine
SMILESCCCCCCCCCCCCCCCCC(C)C1CNCCO1
InChIInChI=1S/C22H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)22-20-23-18-19-24-22/h21-23H,3-20H2,1-2H3
InChIKeyRHAHHIJNXCQKIG-UHFFFAOYSA-N
XLogP6.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.48
H-Bond Donors ≤ 51
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-octadecan-2-ylmorpholine?
The IUPAC name of 2-octadecan-2-ylmorpholine (CID 22621458) is 2-octadecan-2-ylmorpholine.
What is the SMILES notation for 2-octadecan-2-ylmorpholine?
The canonical SMILES for 2-octadecan-2-ylmorpholine is CCCCCCCCCCCCCCCCC(C)C1CNCCO1.
What is the InChIKey of 2-octadecan-2-ylmorpholine?
The InChIKey is RHAHHIJNXCQKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)22-20-23-18-19-24-22/h21-23H,3-20H2,1-2H3.
What are the key properties of 2-octadecan-2-ylmorpholine?
2-octadecan-2-ylmorpholine has a molecular weight of 339.61 g/mol, XLogP of 6.48, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecan-2-ylmorpholine is sourced from PubChem (CID 22621458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).