2-ethoxyethyl 6-amino-4,4-dimethylhexanoate

C12H25NO3 — CID 65285025

IUPAC2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
SMILESCCOCCOC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H25NO3/c1-4-15-9-10-16-11(14)5-6-12(2,3)7-8-13/h4-10,13H2,1-3H3
InChIKeyWCGWRYWVINGLKZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds9

About 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate

2-ethoxyethyl 6-amino-4,4-dimethylhexanoate (PubChem CID 65285025) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate.

Molecular Properties

Compound Name2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
PubChem CID65285025
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
SMILESCCOCCOC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H25NO3/c1-4-15-9-10-16-11(14)5-6-12(2,3)7-8-13/h4-10,13H2,1-3H3
InChIKeyWCGWRYWVINGLKZ-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
CID 104562890
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-ethoxyethyl 4-oxopentanoate
CID 22556205
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
2-ethoxyethyl 3-(methylaminooxy)propanoate
CID 166833055
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
2-methylpentyl 6-amino-4,4-dimethylhexanoate
CID 103284096
2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002390

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate?
The IUPAC name of 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate (CID 65285025) is 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate.
What is the SMILES notation for 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate?
The canonical SMILES for 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate is CCOCCOC(=O)CCC(C)(C)CCN.
What is the InChIKey of 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate?
The InChIKey is WCGWRYWVINGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-15-9-10-16-11(14)5-6-12(2,3)7-8-13/h4-10,13H2,1-3H3.
What are the key properties of 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate?
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate has a molecular weight of 231.34 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 6-amino-4,4-dimethylhexanoate is sourced from PubChem (CID 65285025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).