methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate

C11H21NO3 — CID 139818682

IUPACmethyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate
SMILESCOC(=O)/C=N/C(C)(C)COC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-8-11(4,5)12-7-9(13)14-6/h7H,8H2,1-6H3/b12-7+
InChIKeyCKXDNSNFVIGYIM-KPKJPENVSA-N
MW215.29 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate

methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate (PubChem CID 139818682) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate
PubChem CID139818682
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate
SMILESCOC(=O)/C=N/C(C)(C)COC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-8-11(4,5)12-7-9(13)14-6/h7H,8H2,1-6H3/b12-7+
InChIKeyCKXDNSNFVIGYIM-KPKJPENVSA-N
XLogP1.82
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate?
The IUPAC name of methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate (CID 139818682) is methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate.
What is the SMILES notation for methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate?
The canonical SMILES for methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate is COC(=O)/C=N/C(C)(C)COC(C)(C)C.
What is the InChIKey of methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate?
The InChIKey is CKXDNSNFVIGYIM-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-8-11(4,5)12-7-9(13)14-6/h7H,8H2,1-6H3/b12-7+.
What are the key properties of methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate?
methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate has a molecular weight of 215.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate is sourced from PubChem (CID 139818682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).