1,2-dimethoxyethane;methyl 2-methoxyacetate

C8H18O5 — CID 159708370

IUPAC1,2-dimethoxyethane;methyl 2-methoxyacetate
SMILESCOCC(=O)OC.COCCOC
InChIInChI=1S/C4H8O3.C4H10O2/c1-6-3-4(5)7-2;1-5-3-4-6-2/h3H2,1-2H3;3-4H2,1-2H3
InChIKeyMYMZQMFEGBPFHT-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.09
Rot. Bonds5

About 1,2-dimethoxyethane;methyl 2-methoxyacetate

1,2-dimethoxyethane;methyl 2-methoxyacetate (PubChem CID 159708370) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,2-dimethoxyethane;methyl 2-methoxyacetate.

Molecular Properties

Compound Name1,2-dimethoxyethane;methyl 2-methoxyacetate
PubChem CID159708370
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name1,2-dimethoxyethane;methyl 2-methoxyacetate
SMILESCOCC(=O)OC.COCCOC
InChIInChI=1S/C4H8O3.C4H10O2/c1-6-3-4(5)7-2;1-5-3-4-6-2/h3H2,1-2H3;3-4H2,1-2H3
InChIKeyMYMZQMFEGBPFHT-UHFFFAOYSA-N
XLogP0.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate
CID 159147604
methyl 2-(methylaminooxy)acetate
CID 87955923
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-(methoxymethoxy)acetate
CID 11018922
methyl 4-methoxybutanoate
CID 542317
CID 172843337
CID 172843337
1,2-dimethoxyethane;methyl 2-(methylamino)acetate
CID 161160255
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate
CID 59360628

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;methyl 2-methoxyacetate?
The IUPAC name of 1,2-dimethoxyethane;methyl 2-methoxyacetate (CID 159708370) is 1,2-dimethoxyethane;methyl 2-methoxyacetate.
What is the SMILES notation for 1,2-dimethoxyethane;methyl 2-methoxyacetate?
The canonical SMILES for 1,2-dimethoxyethane;methyl 2-methoxyacetate is COCC(=O)OC.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;methyl 2-methoxyacetate?
The InChIKey is MYMZQMFEGBPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H10O2/c1-6-3-4(5)7-2;1-5-3-4-6-2/h3H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;methyl 2-methoxyacetate?
1,2-dimethoxyethane;methyl 2-methoxyacetate has a molecular weight of 194.23 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;methyl 2-methoxyacetate is sourced from PubChem (CID 159708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).