2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate

C27H57NO6Si — CID 59782817

IUPAC2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
SMILESCCCCCCCCCCCCOCCOC(=O)C(C)CNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57NO6Si/c1-6-10-11-12-13-14-15-16-17-18-21-30-22-23-31-27(29)26(5)25-28-20-19-24-35(32-7-2,33-8-3)34-9-4/h26,28H,6-25H2,1-5H3
InChIKeyUHYVIHZVFBCZLJ-UHFFFAOYSA-N
MW519.84 g/mol
LogP6.13
Rot. Bonds27

About 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate

2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate (PubChem CID 59782817) has the molecular formula C27H57NO6Si and a molecular weight of 519.84 g/mol. Its IUPAC name is 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate.

Molecular Properties

Compound Name2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
PubChem CID59782817
Molecular FormulaC27H57NO6Si
Molecular Weight519.84 g/mol
Exact Mass519.40
IUPAC Name2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
SMILESCCCCCCCCCCCCOCCOC(=O)C(C)CNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57NO6Si/c1-6-10-11-12-13-14-15-16-17-18-21-30-22-23-31-27(29)26(5)25-28-20-19-24-35(32-7-2,33-8-3)34-9-4/h26,28H,6-25H2,1-5H3
InChIKeyUHYVIHZVFBCZLJ-UHFFFAOYSA-N
XLogP6.13
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.84
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
CID 58122243
decyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551178
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 88852142
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
CID 161118607
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
2-hexoxyethyl 2-methylpropanoate
CID 88618751
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
The IUPAC name of 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate (CID 59782817) is 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate.
What is the SMILES notation for 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
The canonical SMILES for 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate is CCCCCCCCCCCCOCCOC(=O)C(C)CNCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
The InChIKey is UHYVIHZVFBCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO6Si/c1-6-10-11-12-13-14-15-16-17-18-21-30-22-23-31-27(29)26(5)25-28-20-19-24-35(32-7-2,33-8-3)34-9-4/h26,28H,6-25H2,1-5H3.
What are the key properties of 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate has a molecular weight of 519.84 g/mol, XLogP of 6.13, 27 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate is sourced from PubChem (CID 59782817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).