ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate

C15H31NO5 — CID 104565496

IUPACethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCOCCOCCOC)NC
InChIInChI=1S/C15H31NO5/c1-5-21-14(17)15(2,16-3)8-6-7-9-19-12-13-20-11-10-18-4/h16H,5-13H2,1-4H3
InChIKeyXEADDLYSKZKESI-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.38
Rot. Bonds14

About ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate

ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate (PubChem CID 104565496) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
PubChem CID104565496
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Nameethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCOCCOCCOC)NC
InChIInChI=1S/C15H31NO5/c1-5-21-14(17)15(2,16-3)8-6-7-9-19-12-13-20-11-10-18-4/h16H,5-13H2,1-4H3
InChIKeyXEADDLYSKZKESI-UHFFFAOYSA-N
XLogP1.38
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
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-methyl-2-(propylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61936747
Methyl 2-methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61936951
Ethyl 2-methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61936952
Methyl 2-methyl-2-(methylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937368
Ethyl 2-methyl-2-(methylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937571
Methyl 2-(ethylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937573
Ethyl 2-(ethylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937778
Methyl 2-methyl-2-(propylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937780
Methyl 2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanoate
CID 66274850
Ethyl 2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanoate
CID 66276797
Ethyl 6-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)hexanoate
CID 82005672
Ethyl 6-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylhexanoate
CID 82005675

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate (CID 104565496) is ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate is CCOC(=O)C(C)(CCCCOCCOCCOC)NC.
What is the InChIKey of ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate?
The InChIKey is XEADDLYSKZKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-5-21-14(17)15(2,16-3)8-6-7-9-19-12-13-20-11-10-18-4/h16H,5-13H2,1-4H3.
What are the key properties of ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate?
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate has a molecular weight of 305.42 g/mol, XLogP of 1.38, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 104565496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).