trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate

C18H41NO5Si2 — CID 140591259

IUPACtrimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate
SMILESCCO[Si](CCCN(CC)CC(=O)O[Si](C)(C)C)(OCC)OC(C)CC
InChIInChI=1S/C18H41NO5Si2/c1-9-17(5)23-26(21-11-3,22-12-4)15-13-14-19(10-2)16-18(20)24-25(6,7)8/h17H,9-16H2,1-8H3
InChIKeyLLQUDJKTZBPYJQ-UHFFFAOYSA-N
MW407.70 g/mol
LogP3.90
Rot. Bonds15

About trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate

trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate (PubChem CID 140591259) has the molecular formula C18H41NO5Si2 and a molecular weight of 407.70 g/mol. Its IUPAC name is trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate
PubChem CID140591259
Molecular FormulaC18H41NO5Si2
Molecular Weight407.70 g/mol
Exact Mass407.25
IUPAC Nametrimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate
SMILESCCO[Si](CCCN(CC)CC(=O)O[Si](C)(C)C)(OCC)OC(C)CC
InChIInChI=1S/C18H41NO5Si2/c1-9-17(5)23-26(21-11-3,22-12-4)15-13-14-19(10-2)16-18(20)24-25(6,7)8/h17H,9-16H2,1-8H3
InChIKeyLLQUDJKTZBPYJQ-UHFFFAOYSA-N
XLogP3.90
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
CID 140591318
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591360
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591252
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
CID 140591135
bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
CID 88852233
triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
CID 140591113
trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate
CID 91745582
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
CID 140591101
butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane
CID 175371558
trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate
CID 140591241

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate?
The IUPAC name of trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate (CID 140591259) is trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate.
What is the SMILES notation for trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate?
The canonical SMILES for trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate is CCO[Si](CCCN(CC)CC(=O)O[Si](C)(C)C)(OCC)OC(C)CC.
What is the InChIKey of trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate?
The InChIKey is LLQUDJKTZBPYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5Si2/c1-9-17(5)23-26(21-11-3,22-12-4)15-13-14-19(10-2)16-18(20)24-25(6,7)8/h17H,9-16H2,1-8H3.
What are the key properties of trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate?
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate has a molecular weight of 407.70 g/mol, XLogP of 3.90, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate is sourced from PubChem (CID 140591259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).