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

C10H19NO — CID 165058120

IUPAC2-hexyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCC1=NCCCO1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-9H2,1H3
InChIKeyQTNGXTSLEVDEIQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.78
Rot. Bonds5

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

2-hexyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 165058120) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-hexyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-hexyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID165058120
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-hexyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCC1=NCCCO1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-9H2,1H3
InChIKeyQTNGXTSLEVDEIQ-UHFFFAOYSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.78
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

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(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-Hexyl-4,5-dihydrooxazole
CID 22008101
2-(n-Dodecyl)-2-oxazoline
CID 22999539
2-Octyl-2-oxazoline
CID 22999542
2-butyl-5,6-dihydro-4H-1,3-oxazine
CID 10855556
2-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 11789440
2-heptadecyl-5,6-dihydro-4H-1,3-oxazine
CID 12430262
2-Ethoxy-1-azacyclotridecene
CID 13058817

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-hexyl-5,6-dihydro-4H-1,3-oxazine (CID 165058120) is 2-hexyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-hexyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-hexyl-5,6-dihydro-4H-1,3-oxazine is CCCCCCC1=NCCCO1.
What is the InChIKey of 2-hexyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is QTNGXTSLEVDEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-9H2,1H3.
What are the key properties of 2-hexyl-5,6-dihydro-4H-1,3-oxazine?
2-hexyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 169.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 165058120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).