ethyl 2,2,3-triethoxypropanoate

C11H22O5 — CID 175005029

IUPACethyl 2,2,3-triethoxypropanoate
SMILESCCOCC(OCC)(OCC)C(=O)OCC
InChIInChI=1S/C11H22O5/c1-5-13-9-11(15-7-3,16-8-4)10(12)14-6-2/h5-9H2,1-4H3
InChIKeyXZTSURCIGLHHGI-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.36
Rot. Bonds9

About ethyl 2,2,3-triethoxypropanoate

ethyl 2,2,3-triethoxypropanoate (PubChem CID 175005029) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2,2,3-triethoxypropanoate.

Molecular Properties

Compound Nameethyl 2,2,3-triethoxypropanoate
PubChem CID175005029
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Nameethyl 2,2,3-triethoxypropanoate
SMILESCCOCC(OCC)(OCC)C(=O)OCC
InChIInChI=1S/C11H22O5/c1-5-13-9-11(15-7-3,16-8-4)10(12)14-6-2/h5-9H2,1-4H3
InChIKeyXZTSURCIGLHHGI-UHFFFAOYSA-N
XLogP1.36
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-diethoxy-3-ethylsulfanylpropanoate
CID 88809110
1-O-ethyl 3-O-methyl 2-(ethoxymethyl)-2-hydroxypropanedioate
CID 90962392
diethyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989312
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
CID 139783133
ethyl 2-cyano-2-(ethoxymethyl)but-3-enoate
CID 175532698
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
triethyl 2-ethoxypropane-1,2,3-tricarboxylate
CID 57322317
ethyl 2-(dimethylamino)-2,2-diethoxyacetate
CID 12514181

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,3-triethoxypropanoate?
The IUPAC name of ethyl 2,2,3-triethoxypropanoate (CID 175005029) is ethyl 2,2,3-triethoxypropanoate.
What is the SMILES notation for ethyl 2,2,3-triethoxypropanoate?
The canonical SMILES for ethyl 2,2,3-triethoxypropanoate is CCOCC(OCC)(OCC)C(=O)OCC.
What is the InChIKey of ethyl 2,2,3-triethoxypropanoate?
The InChIKey is XZTSURCIGLHHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-5-13-9-11(15-7-3,16-8-4)10(12)14-6-2/h5-9H2,1-4H3.
What are the key properties of ethyl 2,2,3-triethoxypropanoate?
ethyl 2,2,3-triethoxypropanoate has a molecular weight of 234.29 g/mol, XLogP of 1.36, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3-triethoxypropanoate is sourced from PubChem (CID 175005029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).