2-tetradecyl-5,6-dihydro-4H-1,3-oxazine

C18H35NO — CID 169221826

IUPAC2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19-16-14-17-20-18/h2-17H2,1H3
InChIKeyJUQFIIZRETZELB-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.90
Rot. Bonds13

About 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine

2-tetradecyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 169221826) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID169221826
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19-16-14-17-20-18/h2-17H2,1H3
InChIKeyJUQFIIZRETZELB-UHFFFAOYSA-N
XLogP5.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.90
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

2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
2-docosyl-5,6-dihydro-4H-1,3-oxazine
CID 169221785
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
2-tetracosa-9,11-diynyl-4,5-dihydro-1,3-oxazole
CID 102460926
2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
CID 175495301
2-[(9Z,13Z)-heptadeca-9,13-dienyl]-4,5-dihydro-1,3-oxazole
CID 101452817
2-cyclohexyl-4,5-dihydro-1,3-oxazole;2-octadec-9-enyl-4,5-dihydro-1,3-oxazole
CID 67259453
2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine
CID 162681543
N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523859
5-hexyl-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 70808035
5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate
CID 102249128

Frequently Asked Questions

What is the IUPAC name of 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine (CID 169221826) is 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine is CCCCCCCCCCCCCCC1=NCCCO1.
What is the InChIKey of 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is JUQFIIZRETZELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19-16-14-17-20-18/h2-17H2,1H3.
What are the key properties of 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine?
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 281.48 g/mol, XLogP of 5.90, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 169221826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).