2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate

C12H25NO6 — CID 118600993

IUPAC2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOCCOCCOCCON
InChIInChI=1S/C12H25NO6/c1-11(2)12(14)18-9-7-16-5-3-15-4-6-17-8-10-19-13/h11H,3-10,13H2,1-2H3
InChIKeySXNWTDUZAFLNPP-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.13
Rot. Bonds13

About 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate

2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate (PubChem CID 118600993) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate
PubChem CID118600993
Molecular FormulaC12H25NO6
Molecular Weight279.33 g/mol
Exact Mass279.17
IUPAC Name2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOCCOCCOCCON
InChIInChI=1S/C12H25NO6/c1-11(2)12(14)18-9-7-16-5-3-15-4-6-17-8-10-19-13/h11H,3-10,13H2,1-2H3
InChIKeySXNWTDUZAFLNPP-UHFFFAOYSA-N
XLogP0.13
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-sulfanylethoxy)ethyl 2-methylpropanoate
CID 121415381
2-hexoxyethyl 2-methylpropanoate
CID 88618751
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
3-[2-(3-methylbutoxy)ethoxy]propyl 2-methylpropanoate
CID 140899152
3-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]propyl 2-methylpropanoate
CID 171053377
O-[2-(2-methoxyethoxy)ethyl]hydroxylamine
CID 22285908
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
3-aminopropyl 2-methylpropanoate
CID 59078098
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium
CID 58780013
2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
CID 118372663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate?
The IUPAC name of 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate (CID 118600993) is 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate is CC(C)C(=O)OCCOCCOCCOCCON.
What is the InChIKey of 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate?
The InChIKey is SXNWTDUZAFLNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO6/c1-11(2)12(14)18-9-7-16-5-3-15-4-6-17-8-10-19-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate?
2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate has a molecular weight of 279.33 g/mol, XLogP of 0.13, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate is sourced from PubChem (CID 118600993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).