2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

C12H21NO2 — CID 13061355

IUPAC2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESC/C=C/COCC1=NC(C)(C)CC(C)O1
InChIInChI=1S/C12H21NO2/c1-5-6-7-14-9-11-13-12(3,4)8-10(2)15-11/h5-6,10H,7-9H2,1-4H3/b6-5+
InChIKeyMOSKAKRTMHFXDT-AATRIKPKSA-N
MW211.30 g/mol
LogP2.57
Rot. Bonds4

About 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 13061355) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
PubChem CID13061355
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESC/C=C/COCC1=NC(C)(C)CC(C)O1
InChIInChI=1S/C12H21NO2/c1-5-6-7-14-9-11-13-12(3,4)8-10(2)15-11/h5-6,10H,7-9H2,1-4H3/b6-5+
InChIKeyMOSKAKRTMHFXDT-AATRIKPKSA-N
XLogP2.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,6-trimethyl-2-[(E)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethenyl]-5,6-dihydro-1,3-oxazine
CID 12072156

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (CID 13061355) is 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is C/C=C/COCC1=NC(C)(C)CC(C)O1.
What is the InChIKey of 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is MOSKAKRTMHFXDT-AATRIKPKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-6-7-14-9-11-13-12(3,4)8-10(2)15-11/h5-6,10H,7-9H2,1-4H3/b6-5+.
What are the key properties of 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 211.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoxy]methyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 13061355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).