2-[(2-methylpropan-2-yl)oxy]ethanolate

C6H13O2- — CID 140575910

IUPAC2-[(2-methylpropan-2-yl)oxy]ethanolate
SMILESCC(C)(C)OCC[O-]
InChIInChI=1S/C6H13O2/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3/q-1
InChIKeyXCLURNPSDGGFRM-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.16
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]ethanolate

2-[(2-methylpropan-2-yl)oxy]ethanolate (PubChem CID 140575910) has the molecular formula C6H13O2- and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethanolate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethanolate
PubChem CID140575910
Molecular FormulaC6H13O2-
Molecular Weight117.17 g/mol
Exact Mass117.09
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethanolate
SMILESCC(C)(C)OCC[O-]
InChIInChI=1S/C6H13O2/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3/q-1
InChIKeyXCLURNPSDGGFRM-UHFFFAOYSA-N
XLogP0.16
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethanolate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethanolate (CID 140575910) is 2-[(2-methylpropan-2-yl)oxy]ethanolate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethanolate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethanolate is CC(C)(C)OCC[O-].
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethanolate?
The InChIKey is XCLURNPSDGGFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3/q-1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethanolate?
2-[(2-methylpropan-2-yl)oxy]ethanolate has a molecular weight of 117.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethanolate is sourced from PubChem (CID 140575910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).