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

C26H51NO — CID 169221785

IUPAC2-docosyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCCCCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C26H51NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-27-24-22-25-28-26/h2-25H2,1H3
InChIKeyPHAZJDIIMXXMQS-UHFFFAOYSA-N
MW393.70 g/mol
LogP9.02
Rot. Bonds21

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

2-docosyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 169221785) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is 2-docosyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-docosyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID169221785
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Name2-docosyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCCCCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C26H51NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-27-24-22-25-28-26/h2-25H2,1H3
InChIKeyPHAZJDIIMXXMQS-UHFFFAOYSA-N
XLogP9.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 59.02
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-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
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-docosyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-docosyl-5,6-dihydro-4H-1,3-oxazine (CID 169221785) is 2-docosyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-docosyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-docosyl-5,6-dihydro-4H-1,3-oxazine is CCCCCCCCCCCCCCCCCCCCCCC1=NCCCO1.
What is the InChIKey of 2-docosyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is PHAZJDIIMXXMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-27-24-22-25-28-26/h2-25H2,1H3.
What are the key properties of 2-docosyl-5,6-dihydro-4H-1,3-oxazine?
2-docosyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 393.70 g/mol, XLogP of 9.02, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-docosyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 169221785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).