tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate

C10H20O3 — CID 10954298

IUPACtert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCC(C)(C)OCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O3/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H2,1-6H3
InChIKeyOMOFILQTWANXFM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate

tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 10954298) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID10954298
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nametert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCC(C)(C)OCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O3/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H2,1-6H3
InChIKeyOMOFILQTWANXFM-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate (CID 10954298) is tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate is CC(C)(C)OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is OMOFILQTWANXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate?
tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 188.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 10954298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).