acetyl 2-ethoxyacetate

C6H10O4 — CID 57009984

IUPACacetyl 2-ethoxyacetate
SMILESCCOCC(=O)OC(C)=O
InChIInChI=1S/C6H10O4/c1-3-9-4-6(8)10-5(2)7/h3-4H2,1-2H3
InChIKeyIVZFYRWTCLUZLP-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.11
Rot. Bonds3

About acetyl 2-ethoxyacetate

acetyl 2-ethoxyacetate (PubChem CID 57009984) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is acetyl 2-ethoxyacetate.

Molecular Properties

Compound Nameacetyl 2-ethoxyacetate
PubChem CID57009984
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Nameacetyl 2-ethoxyacetate
SMILESCCOCC(=O)OC(C)=O
InChIInChI=1S/C6H10O4/c1-3-9-4-6(8)10-5(2)7/h3-4H2,1-2H3
InChIKeyIVZFYRWTCLUZLP-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
acetyl propanoate;copper
CID 174868474
acetyl propanoate;cobalt
CID 88660334
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
1-ethoxypropan-2-one;methyl propanoate
CID 158504783
disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride
CID 174575429
magnesium;1-ethoxypropan-2-one;hydride
CID 173062640
benzene;ethyl 2-ethoxyacetate
CID 174867683
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
1-O-acetyl 3-O-(3-acetyloxy-3-oxopropanoyl) propanedioate
CID 87700479
2-ethoxyacetic acid
CID 159744705

Frequently Asked Questions

What is the IUPAC name of acetyl 2-ethoxyacetate?
The IUPAC name of acetyl 2-ethoxyacetate (CID 57009984) is acetyl 2-ethoxyacetate.
What is the SMILES notation for acetyl 2-ethoxyacetate?
The canonical SMILES for acetyl 2-ethoxyacetate is CCOCC(=O)OC(C)=O.
What is the InChIKey of acetyl 2-ethoxyacetate?
The InChIKey is IVZFYRWTCLUZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-9-4-6(8)10-5(2)7/h3-4H2,1-2H3.
What are the key properties of acetyl 2-ethoxyacetate?
acetyl 2-ethoxyacetate has a molecular weight of 146.14 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-ethoxyacetate is sourced from PubChem (CID 57009984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).