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

C9H16O5 — CID 125471896

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
SMILESCCOC(=O)COC(=O)OC(C)(C)C
InChIInChI=1S/C9H16O5/c1-5-12-7(10)6-13-8(11)14-9(2,3)4/h5-6H2,1-4H3
InChIKeyAMYHZLCFYQMGDL-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.50
Rot. Bonds3

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

ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate (PubChem CID 125471896) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
PubChem CID125471896
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
SMILESCCOC(=O)COC(=O)OC(C)(C)C
InChIInChI=1S/C9H16O5/c1-5-12-7(10)6-13-8(11)14-9(2,3)4/h5-6H2,1-4H3
InChIKeyAMYHZLCFYQMGDL-UHFFFAOYSA-N
XLogP1.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
(2S)-2-(2-ethoxy-2-oxoethoxy)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 121340278
ethyl 4,4-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59184562
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
acetic acid;ethyl 2-tert-butylperoxyacetate
CID 175062374
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
bis(2-ethoxy-2-oxoethyl) (Z)-but-2-enedioate
CID 139903578
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
2-(2-ethoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 87734415
ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
CID 87219615

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate (CID 125471896) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate is CCOC(=O)COC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate?
The InChIKey is AMYHZLCFYQMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-5-12-7(10)6-13-8(11)14-9(2,3)4/h5-6H2,1-4H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate has a molecular weight of 204.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate is sourced from PubChem (CID 125471896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).