4-hexadecan-8-ylmorpholine

C20H41NO — CID 126489366

IUPAC4-hexadecan-8-ylmorpholine
SMILESCCCCCCCCC(CCCCCCC)N1CCOCC1
InChIInChI=1S/C20H41NO/c1-3-5-7-9-11-13-15-20(14-12-10-8-6-4-2)21-16-18-22-19-17-21/h20H,3-19H2,1-2H3
InChIKeyVLZIESXBGFZVIT-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.80
Rot. Bonds14

About 4-hexadecan-8-ylmorpholine

4-hexadecan-8-ylmorpholine (PubChem CID 126489366) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 4-hexadecan-8-ylmorpholine.

Molecular Properties

Compound Name4-hexadecan-8-ylmorpholine
PubChem CID126489366
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name4-hexadecan-8-ylmorpholine
SMILESCCCCCCCCC(CCCCCCC)N1CCOCC1
InChIInChI=1S/C20H41NO/c1-3-5-7-9-11-13-15-20(14-12-10-8-6-4-2)21-16-18-22-19-17-21/h20H,3-19H2,1-2H3
InChIKeyVLZIESXBGFZVIT-UHFFFAOYSA-N
XLogP5.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.80
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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Related Compounds

1-octadecan-4-ylaziridine
CID 87223215
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
4-pentadecan-8-ylthiomorpholine
CID 134320979
1-decan-4-ylpiperidine
CID 142178259
2-morpholin-4-yldecanoic acid
CID 57259608
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
4-pentan-3-ylmorpholine
CID 641553
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605

Frequently Asked Questions

What is the IUPAC name of 4-hexadecan-8-ylmorpholine?
The IUPAC name of 4-hexadecan-8-ylmorpholine (CID 126489366) is 4-hexadecan-8-ylmorpholine.
What is the SMILES notation for 4-hexadecan-8-ylmorpholine?
The canonical SMILES for 4-hexadecan-8-ylmorpholine is CCCCCCCCC(CCCCCCC)N1CCOCC1.
What is the InChIKey of 4-hexadecan-8-ylmorpholine?
The InChIKey is VLZIESXBGFZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-3-5-7-9-11-13-15-20(14-12-10-8-6-4-2)21-16-18-22-19-17-21/h20H,3-19H2,1-2H3.
What are the key properties of 4-hexadecan-8-ylmorpholine?
4-hexadecan-8-ylmorpholine has a molecular weight of 311.55 g/mol, XLogP of 5.80, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecan-8-ylmorpholine is sourced from PubChem (CID 126489366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).