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

C15H29NO — CID 14875992

IUPAC2-undecyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-12-15-16-13-11-14-17-15/h2-14H2,1H3
InChIKeyNZZWCWGGFVXRMO-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.73
Rot. Bonds10

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

2-undecyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 14875992) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-undecyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-undecyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID14875992
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-undecyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-12-15-16-13-11-14-17-15/h2-14H2,1H3
InChIKeyNZZWCWGGFVXRMO-UHFFFAOYSA-N
XLogP4.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.73
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-Undecyl-2-oxazoline
CID 347076
2-Nonyl-2-oxazoline
CID 11041711
(1E)-9-Ethoxy-3,4,5,6,7,8-hexahydro-2H-azonine
CID 324190
8-Ethoxy-2,3,4,5,6,7-hexahydroazocine
CID 12210261
2-(n-Heptyl)-2-Oxazoline
CID 12353703
2-Methoxy-1-azacyclotridecene
CID 12531604
2-Hexyl-4,5-dihydrooxazole
CID 22008101
2-(n-Dodecyl)-2-oxazoline
CID 22999539
2-Octyl-2-oxazoline
CID 22999542
2-Tridecyl-4,5-dihydro-1,3-oxazole
CID 18431987
2-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 11789440
2-heptadecyl-5,6-dihydro-4H-1,3-oxazine
CID 12430262

Frequently Asked Questions

What is the IUPAC name of 2-undecyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-undecyl-5,6-dihydro-4H-1,3-oxazine (CID 14875992) is 2-undecyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-undecyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-undecyl-5,6-dihydro-4H-1,3-oxazine is CCCCCCCCCCCC1=NCCCO1.
What is the InChIKey of 2-undecyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is NZZWCWGGFVXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-12-15-16-13-11-14-17-15/h2-14H2,1H3.
What are the key properties of 2-undecyl-5,6-dihydro-4H-1,3-oxazine?
2-undecyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 239.40 g/mol, XLogP of 4.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 14875992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).