ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate

C14H25NO3 — CID 70473913

IUPACethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate
SMILESC=C(C)C(C(=O)OCC)C1NC(C)(C)CC(C)O1
InChIInChI=1S/C14H25NO3/c1-7-17-13(16)11(9(2)3)12-15-14(5,6)8-10(4)18-12/h10-12,15H,2,7-8H2,1,3-6H3
InChIKeySKOJYHQNEDEPSJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.24
Rot. Bonds4

About ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate

ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate (PubChem CID 70473913) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate
PubChem CID70473913
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate
SMILESC=C(C)C(C(=O)OCC)C1NC(C)(C)CC(C)O1
InChIInChI=1S/C14H25NO3/c1-7-17-13(16)11(9(2)3)12-15-14(5,6)8-10(4)18-12/h10-12,15H,2,7-8H2,1,3-6H3
InChIKeySKOJYHQNEDEPSJ-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate?
The IUPAC name of ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate (CID 70473913) is ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate.
What is the SMILES notation for ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate?
The canonical SMILES for ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate is C=C(C)C(C(=O)OCC)C1NC(C)(C)CC(C)O1.
What is the InChIKey of ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate?
The InChIKey is SKOJYHQNEDEPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-7-17-13(16)11(9(2)3)12-15-14(5,6)8-10(4)18-12/h10-12,15H,2,7-8H2,1,3-6H3.
What are the key properties of ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate?
ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate has a molecular weight of 255.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate is sourced from PubChem (CID 70473913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).