ethyl 2-(ethoxymethoxy)propanoate

C8H16O4 — CID 21189118

IUPACethyl 2-(ethoxymethoxy)propanoate
SMILESCCOCOC(C)C(=O)OCC
InChIInChI=1S/C8H16O4/c1-4-10-6-12-7(3)8(9)11-5-2/h7H,4-6H2,1-3H3
InChIKeyFXUTYLZDUNULID-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.95
Rot. Bonds6

About ethyl 2-(ethoxymethoxy)propanoate

ethyl 2-(ethoxymethoxy)propanoate (PubChem CID 21189118) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethyl 2-(ethoxymethoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethoxy)propanoate
PubChem CID21189118
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethyl 2-(ethoxymethoxy)propanoate
SMILESCCOCOC(C)C(=O)OCC
InChIInChI=1S/C8H16O4/c1-4-10-6-12-7(3)8(9)11-5-2/h7H,4-6H2,1-3H3
InChIKeyFXUTYLZDUNULID-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate
CID 161302432
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303
ethyl 2-nonoxypropanoate
CID 88680880
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
CID 88565350
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl (2R)-2-bromopropanoate
CID 7003709
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
ethoxymethyl 2-hydroxypropanoate
CID 87466299
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
ethyl 2,2-bis(sulfanyl)acetate
CID 21446775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxymethoxy)propanoate?
The IUPAC name of ethyl 2-(ethoxymethoxy)propanoate (CID 21189118) is ethyl 2-(ethoxymethoxy)propanoate.
What is the SMILES notation for ethyl 2-(ethoxymethoxy)propanoate?
The canonical SMILES for ethyl 2-(ethoxymethoxy)propanoate is CCOCOC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxymethoxy)propanoate?
The InChIKey is FXUTYLZDUNULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-10-6-12-7(3)8(9)11-5-2/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(ethoxymethoxy)propanoate?
ethyl 2-(ethoxymethoxy)propanoate has a molecular weight of 176.21 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethoxy)propanoate is sourced from PubChem (CID 21189118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).