ethyl 2-propan-2-yloxyacetate

C7H14O3 — CID 537908

IUPACethyl 2-propan-2-yloxyacetate
SMILESCCOC(=O)COC(C)C
InChIInChI=1S/C7H14O3/c1-4-9-7(8)5-10-6(2)3/h6H,4-5H2,1-3H3
InChIKeyJECQALZMHMNOLO-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-propan-2-yloxyacetate

ethyl 2-propan-2-yloxyacetate (PubChem CID 537908) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl 2-propan-2-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-propan-2-yloxyacetate
PubChem CID537908
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethyl 2-propan-2-yloxyacetate
SMILESCCOC(=O)COC(C)C
InChIInChI=1S/C7H14O3/c1-4-9-7(8)5-10-6(2)3/h6H,4-5H2,1-3H3
InChIKeyJECQALZMHMNOLO-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
CID 86621907
3-methylbutyl 2-propan-2-yloxyacetate
CID 59502419
ethyl 2-[1-(methylamino)propan-2-yloxy]acetate
CID 106939526
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 4-propan-2-yloxybutanoate
CID 59323565
ethyl 2-(1-hydroxy-3-oxobutoxy)acetate
CID 88524718
formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
CID 118371135
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 172843337
CID 172843337
ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate
CID 156632731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yloxyacetate?
The IUPAC name of ethyl 2-propan-2-yloxyacetate (CID 537908) is ethyl 2-propan-2-yloxyacetate.
What is the SMILES notation for ethyl 2-propan-2-yloxyacetate?
The canonical SMILES for ethyl 2-propan-2-yloxyacetate is CCOC(=O)COC(C)C.
What is the InChIKey of ethyl 2-propan-2-yloxyacetate?
The InChIKey is JECQALZMHMNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-9-7(8)5-10-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yloxyacetate?
ethyl 2-propan-2-yloxyacetate has a molecular weight of 146.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yloxyacetate is sourced from PubChem (CID 537908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).