ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate

C12H25NO5 — CID 20553419

IUPACethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCOCCN(C)C
InChIInChI=1S/C12H25NO5/c1-4-18-12(14)11-17-10-9-16-8-7-15-6-5-13(2)3/h4-11H2,1-3H3
InChIKeyQVQPMBASPKLQJR-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.16
Rot. Bonds12

About ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate

ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 20553419) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
PubChem CID20553419
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Nameethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCOCCN(C)C
InChIInChI=1S/C12H25NO5/c1-4-18-12(14)11-17-10-9-16-8-7-15-6-5-13(2)3/h4-11H2,1-3H3
InChIKeyQVQPMBASPKLQJR-UHFFFAOYSA-N
XLogP0.16
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
CID 104552544
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079
ethyl 2-butoxyacetate
CID 14419651
S-methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanethioate
CID 146606124
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate (CID 20553419) is ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate is CCOC(=O)COCCOCCOCCN(C)C.
What is the InChIKey of ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is QVQPMBASPKLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-4-18-12(14)11-17-10-9-16-8-7-15-6-5-13(2)3/h4-11H2,1-3H3.
What are the key properties of ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate?
ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 263.33 g/mol, XLogP of 0.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 20553419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).