ethoxymethyl 2-hydroxypropanoate

C6H12O4 — CID 87466299

IUPACethoxymethyl 2-hydroxypropanoate
SMILESCCOCOC(=O)C(C)O
InChIInChI=1S/C6H12O4/c1-3-9-4-10-6(8)5(2)7/h5,7H,3-4H2,1-2H3
InChIKeyUPZRGDOFXFRJGP-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.10
Rot. Bonds4

About ethoxymethyl 2-hydroxypropanoate

ethoxymethyl 2-hydroxypropanoate (PubChem CID 87466299) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is ethoxymethyl 2-hydroxypropanoate.

Molecular Properties

Compound Nameethoxymethyl 2-hydroxypropanoate
PubChem CID87466299
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nameethoxymethyl 2-hydroxypropanoate
SMILESCCOCOC(=O)C(C)O
InChIInChI=1S/C6H12O4/c1-3-9-4-10-6(8)5(2)7/h5,7H,3-4H2,1-2H3
InChIKeyUPZRGDOFXFRJGP-UHFFFAOYSA-N
XLogP-0.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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

ethyl 2-hydroxypropanoate;sulfane
CID 162209332
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
ethoxycarbonyloxymethoxymethyl ethyl carbonate
CID 142756637
bis(butan-1-olate);bis(ethyl 2-hydroxypropanoate);zirconium(2+)
CID 173454939
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682
ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
CID 89266944

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 2-hydroxypropanoate?
The IUPAC name of ethoxymethyl 2-hydroxypropanoate (CID 87466299) is ethoxymethyl 2-hydroxypropanoate.
What is the SMILES notation for ethoxymethyl 2-hydroxypropanoate?
The canonical SMILES for ethoxymethyl 2-hydroxypropanoate is CCOCOC(=O)C(C)O.
What is the InChIKey of ethoxymethyl 2-hydroxypropanoate?
The InChIKey is UPZRGDOFXFRJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-9-4-10-6(8)5(2)7/h5,7H,3-4H2,1-2H3.
What are the key properties of ethoxymethyl 2-hydroxypropanoate?
ethoxymethyl 2-hydroxypropanoate has a molecular weight of 148.16 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 2-hydroxypropanoate is sourced from PubChem (CID 87466299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).