2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate

C13H24O7 — CID 118000170

IUPAC2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
SMILESCOCCOCCOC(=O)C(C)(COC)COC(C)=O
InChIInChI=1S/C13H24O7/c1-11(14)20-10-13(2,9-17-4)12(15)19-8-7-18-6-5-16-3/h5-10H2,1-4H3
InChIKeyKFWMATVNOJQQEO-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.41
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate

2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate (PubChem CID 118000170) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
PubChem CID118000170
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
SMILESCOCCOCCOC(=O)C(C)(COC)COC(C)=O
InChIInChI=1S/C13H24O7/c1-11(14)20-10-13(2,9-17-4)12(15)19-8-7-18-6-5-16-3/h5-10H2,1-4H3
InChIKeyKFWMATVNOJQQEO-UHFFFAOYSA-N
XLogP0.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate
CID 101455803
prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
CID 126624457
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
[3-[3-[2-[2-[3-[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxy]-2,2-bis[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxymethyl]propoxy]ethoxy]ethoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 71310496
3-[3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoyl]oxypropyl-trimethylazanium
CID 88981219
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
[3-[2-[3-(2-ethyl-2-methylbutanoyl)oxy-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methylpropanoyl]oxyethoxy]-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methyl-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 58085190
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
CID 121241193
bis(3-ethoxy-2-(ethoxymethyl)-2-methylpropanoic acid);2-[3-[3-ethoxy-2-(ethoxymethyl)-2-methylpropanoyl]oxy-2-[[3-ethoxy-2-(ethoxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethyl 2-[[3-ethoxy-2-(ethoxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylbutanoate;2-[2-[[3-ethoxy-2-(ethoxymethyl)-2-methylpropanoyl]oxymethyl]-3-[2-(ethoxymethyl)-3-methoxy-2-methylpropanoyl]oxy-2-methylpropanoyl]oxyethyl 2-[[3-ethoxy-2-(ethoxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylbutanoate;2-propanoyloxyethyl propanoate
CID 91415952
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate (CID 118000170) is 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate is COCCOCCOC(=O)C(C)(COC)COC(C)=O.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
The InChIKey is KFWMATVNOJQQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O7/c1-11(14)20-10-13(2,9-17-4)12(15)19-8-7-18-6-5-16-3/h5-10H2,1-4H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate has a molecular weight of 292.33 g/mol, XLogP of 0.41, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 118000170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).