2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane

C12H25NO2 — CID 24972601

IUPAC2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane
SMILESCCOCCCC1NC(C)(C)CC(C)O1
InChIInChI=1S/C12H25NO2/c1-5-14-8-6-7-11-13-12(3,4)9-10(2)15-11/h10-11,13H,5-9H2,1-4H3
InChIKeyMPOAINFCFOXGAZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds5

About 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane

2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane (PubChem CID 24972601) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane
PubChem CID24972601
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane
SMILESCCOCCCC1NC(C)(C)CC(C)O1
InChIInChI=1S/C12H25NO2/c1-5-14-8-6-7-11-13-12(3,4)9-10(2)15-11/h10-11,13H,5-9H2,1-4H3
InChIKeyMPOAINFCFOXGAZ-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane?
The IUPAC name of 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane (CID 24972601) is 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane.
What is the SMILES notation for 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane?
The canonical SMILES for 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane is CCOCCCC1NC(C)(C)CC(C)O1.
What is the InChIKey of 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane?
The InChIKey is MPOAINFCFOXGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-14-8-6-7-11-13-12(3,4)9-10(2)15-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane?
2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane has a molecular weight of 215.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane is sourced from PubChem (CID 24972601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).