4-hexadecan-8-yl-1,3-oxazolidine

C19H39NO — CID 118873168

IUPAC4-hexadecan-8-yl-1,3-oxazolidine
SMILESCCCCCCCCC(CCCCCCC)C1COCN1
InChIInChI=1S/C19H39NO/c1-3-5-7-9-11-13-15-18(19-16-21-17-20-19)14-12-10-8-6-4-2/h18-20H,3-17H2,1-2H3
InChIKeyJFKUULJGHLAWCA-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.66
Rot. Bonds14

About 4-hexadecan-8-yl-1,3-oxazolidine

4-hexadecan-8-yl-1,3-oxazolidine (PubChem CID 118873168) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-hexadecan-8-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-hexadecan-8-yl-1,3-oxazolidine
PubChem CID118873168
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-hexadecan-8-yl-1,3-oxazolidine
SMILESCCCCCCCCC(CCCCCCC)C1COCN1
InChIInChI=1S/C19H39NO/c1-3-5-7-9-11-13-15-18(19-16-21-17-20-19)14-12-10-8-6-4-2/h18-20H,3-17H2,1-2H3
InChIKeyJFKUULJGHLAWCA-UHFFFAOYSA-N
XLogP5.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.66
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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Related Compounds

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2-nonadecan-9-yl-1,3-dithiane
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2-dodecan-5-yl-1,3-dioxane
CID 174238614
hexadecan-8-ylcyclohexane
CID 91510029
2-(1-piperazin-2-ylhexyl)piperazine
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1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
2-(1-fluoroheptyl)oxirane
CID 57127668
undecan-5-ylcyclohexane
CID 524419
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
3-nonan-2-yl-1,3-oxazetidine
CID 134510422
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
2-decan-4-yl-3-methyloxirane
CID 88790238

Frequently Asked Questions

What is the IUPAC name of 4-hexadecan-8-yl-1,3-oxazolidine?
The IUPAC name of 4-hexadecan-8-yl-1,3-oxazolidine (CID 118873168) is 4-hexadecan-8-yl-1,3-oxazolidine.
What is the SMILES notation for 4-hexadecan-8-yl-1,3-oxazolidine?
The canonical SMILES for 4-hexadecan-8-yl-1,3-oxazolidine is CCCCCCCCC(CCCCCCC)C1COCN1.
What is the InChIKey of 4-hexadecan-8-yl-1,3-oxazolidine?
The InChIKey is JFKUULJGHLAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-3-5-7-9-11-13-15-18(19-16-21-17-20-19)14-12-10-8-6-4-2/h18-20H,3-17H2,1-2H3.
What are the key properties of 4-hexadecan-8-yl-1,3-oxazolidine?
4-hexadecan-8-yl-1,3-oxazolidine has a molecular weight of 297.53 g/mol, XLogP of 5.66, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecan-8-yl-1,3-oxazolidine is sourced from PubChem (CID 118873168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).