ethyl 2-[(2-methylpropan-2-yl)oxy]acetate

C8H16O3 — CID 10997336

IUPACethyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)COC(C)(C)C
InChIInChI=1S/C8H16O3/c1-5-10-7(9)6-11-8(2,3)4/h5-6H2,1-4H3
InChIKeyNNNKTGUIDUXZEX-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-[(2-methylpropan-2-yl)oxy]acetate

ethyl 2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 10997336) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID10997336
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)COC(C)(C)C
InChIInChI=1S/C8H16O3/c1-5-10-7(9)6-11-8(2,3)4/h5-6H2,1-4H3
InChIKeyNNNKTGUIDUXZEX-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxy]acetate (CID 10997336) is ethyl 2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)COC(C)(C)C.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is NNNKTGUIDUXZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-10-7(9)6-11-8(2,3)4/h5-6H2,1-4H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl 2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 160.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 10997336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).