2-undecyl-2H-1,4-oxazine

C15H27NO — CID 91218472

IUPAC2-undecyl-2H-1,4-oxazine
SMILESCCCCCCCCCCCC1C=NC=CO1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-10-11-15-14-16-12-13-17-15/h12-15H,2-11H2,1H3
InChIKeyBFYPCDGFINDWOC-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.85
Rot. Bonds10

About 2-undecyl-2H-1,4-oxazine

2-undecyl-2H-1,4-oxazine (PubChem CID 91218472) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-undecyl-2H-1,4-oxazine.

Molecular Properties

Compound Name2-undecyl-2H-1,4-oxazine
PubChem CID91218472
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-undecyl-2H-1,4-oxazine
SMILESCCCCCCCCCCCC1C=NC=CO1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-10-11-15-14-16-12-13-17-15/h12-15H,2-11H2,1H3
InChIKeyBFYPCDGFINDWOC-UHFFFAOYSA-N
XLogP4.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.85
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-(3-deuteriodecyl)-2H-pyran
CID 165388763
4-tridecyl-4H-1,3-dioxine
CID 15704832
5-dodecyltetraoxolane
CID 175434452
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3S)-2,3-dioctyloxirane
CID 71399050
3,6-diheptyl-1,2,4,5-tetraoxane
CID 10708512
2-heptyl-3-octyloxirane
CID 57269313
2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran
CID 21450091
[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane
CID 102422602
(2R,3S)-3-nonyloxirane-2-carbaldehyde
CID 11138087
(2R,3R)-3-hexyloxirane-2-carbaldehyde
CID 101237658

Frequently Asked Questions

What is the IUPAC name of 2-undecyl-2H-1,4-oxazine?
The IUPAC name of 2-undecyl-2H-1,4-oxazine (CID 91218472) is 2-undecyl-2H-1,4-oxazine.
What is the SMILES notation for 2-undecyl-2H-1,4-oxazine?
The canonical SMILES for 2-undecyl-2H-1,4-oxazine is CCCCCCCCCCCC1C=NC=CO1.
What is the InChIKey of 2-undecyl-2H-1,4-oxazine?
The InChIKey is BFYPCDGFINDWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-10-11-15-14-16-12-13-17-15/h12-15H,2-11H2,1H3.
What are the key properties of 2-undecyl-2H-1,4-oxazine?
2-undecyl-2H-1,4-oxazine has a molecular weight of 237.39 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-2H-1,4-oxazine is sourced from PubChem (CID 91218472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).