methyl 2,2-diethoxyacetate

C7H14O4 — CID 12559139

IUPACmethyl 2,2-diethoxyacetate
SMILESCCOC(OCC)C(=O)OC
InChIInChI=1S/C7H14O4/c1-4-10-7(11-5-2)6(8)9-3/h7H,4-5H2,1-3H3
InChIKeyFEONFRLLHYXTEZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.56
Rot. Bonds5

About methyl 2,2-diethoxyacetate

methyl 2,2-diethoxyacetate (PubChem CID 12559139) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl 2,2-diethoxyacetate.

Molecular Properties

Compound Namemethyl 2,2-diethoxyacetate
PubChem CID12559139
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Namemethyl 2,2-diethoxyacetate
SMILESCCOC(OCC)C(=O)OC
InChIInChI=1S/C7H14O4/c1-4-10-7(11-5-2)6(8)9-3/h7H,4-5H2,1-3H3
InChIKeyFEONFRLLHYXTEZ-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Potassium 2-(1'-ethoxy)ethoxypropionate
CID 23720076
Ethyl diethoxyacetate
CID 80169
Acetic acid, 2,2-dimethoxy-, methyl ester
CID 66647
2-((Acetyloxy)methoxy)ethyl acetate
CID 100999
2,2-Diethoxyacetic acid
CID 3017504
Ethyl 2,2,2-triethoxyacetate
CID 5090273
2,2-Dimethoxyacetic acid
CID 12550976
Ethylylidene triacetate
CID 76325
Ethyl 2-ethoxy-2-hydroxyacetate
CID 95630
Acetic acid, dibutoxy-, butyl ester
CID 545227
2-(Methoxymethoxy)acetic acid
CID 11116042
2,2-Dimethoxyethyl acetate
CID 15753000

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diethoxyacetate?
The IUPAC name of methyl 2,2-diethoxyacetate (CID 12559139) is methyl 2,2-diethoxyacetate.
What is the SMILES notation for methyl 2,2-diethoxyacetate?
The canonical SMILES for methyl 2,2-diethoxyacetate is CCOC(OCC)C(=O)OC.
What is the InChIKey of methyl 2,2-diethoxyacetate?
The InChIKey is FEONFRLLHYXTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-10-7(11-5-2)6(8)9-3/h7H,4-5H2,1-3H3.
What are the key properties of methyl 2,2-diethoxyacetate?
methyl 2,2-diethoxyacetate has a molecular weight of 162.19 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diethoxyacetate is sourced from PubChem (CID 12559139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).