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

C14H27NO — CID 169221818

IUPAC2-decyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-11-14-15-12-10-13-16-14/h2-13H2,1H3
InChIKeyAQTIZFLNJBXQBM-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.34
Rot. Bonds9

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

2-decyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 169221818) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-decyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-decyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID169221818
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-decyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-11-14-15-12-10-13-16-14/h2-13H2,1H3
InChIKeyAQTIZFLNJBXQBM-UHFFFAOYSA-N
XLogP4.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.34
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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Frequently Asked Questions

What is the IUPAC name of 2-decyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-decyl-5,6-dihydro-4H-1,3-oxazine (CID 169221818) is 2-decyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-decyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-decyl-5,6-dihydro-4H-1,3-oxazine is CCCCCCCCCCC1=NCCCO1.
What is the InChIKey of 2-decyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is AQTIZFLNJBXQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-11-14-15-12-10-13-16-14/h2-13H2,1H3.
What are the key properties of 2-decyl-5,6-dihydro-4H-1,3-oxazine?
2-decyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 225.38 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 169221818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).