ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid

C10H22O7 — CID 159692110

IUPACethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
SMILESCCO.CCOC(=O)COC.COCC(=O)O
InChIInChI=1S/C5H10O3.C3H6O3.C2H6O/c1-3-8-5(6)4-7-2;1-6-2-3(4)5;1-2-3/h3-4H2,1-2H3;2H2,1H3,(H,4,5);3H,2H2,1H3
InChIKeyMWNWTCVNUQPSJG-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.09
Rot. Bonds5

About ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid

ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid (PubChem CID 159692110) has the molecular formula C10H22O7 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid.

Molecular Properties

Compound Nameethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
PubChem CID159692110
Molecular FormulaC10H22O7
Molecular Weight254.28 g/mol
Exact Mass254.14
IUPAC Nameethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
SMILESCCO.CCOC(=O)COC.COCC(=O)O
InChIInChI=1S/C5H10O3.C3H6O3.C2H6O/c1-3-8-5(6)4-7-2;1-6-2-3(4)5;1-2-3/h3-4H2,1-2H3;2H2,1H3,(H,4,5);3H,2H2,1H3
InChIKeyMWNWTCVNUQPSJG-UHFFFAOYSA-N
XLogP-0.09
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 172843337
CID 172843337
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CID 11305696
2-methoxyacetic acid;titanium
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2-methoxyacetic acid;oxalic acid
CID 162328994
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethanol;ethyl 2-aminoacetate
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CID 174867683
ethyl 2-(methylaminooxy)acetate
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2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid
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CID 141391818

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid?
The IUPAC name of ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid (CID 159692110) is ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid.
What is the SMILES notation for ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid?
The canonical SMILES for ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid is CCO.CCOC(=O)COC.COCC(=O)O.
What is the InChIKey of ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid?
The InChIKey is MWNWTCVNUQPSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O3.C2H6O/c1-3-8-5(6)4-7-2;1-6-2-3(4)5;1-2-3/h3-4H2,1-2H3;2H2,1H3,(H,4,5);3H,2H2,1H3.
What are the key properties of ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid?
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid has a molecular weight of 254.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid is sourced from PubChem (CID 159692110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).