trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate

C29H63N3O10Si5 — CID 91745582

IUPACtrimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate
SMILESC[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C)CCN(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C29H63N3O10Si5/c1-43(2,3)38-25(33)20-30(16-18-31(21-26(34)39-44(4,5)6)22-27(35)40-45(7,8)9)17-19-32(23-28(36)41-46(10,11)12)24-29(37)42-47(13,14)15/h16-24H2,1-15H3
InChIKeyKRXHLFPROIOQMS-UHFFFAOYSA-N
MW754.26 g/mol
LogP3.78
Rot. Bonds21

About trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate

trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate (PubChem CID 91745582) has the molecular formula C29H63N3O10Si5 and a molecular weight of 754.26 g/mol. Its IUPAC name is trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate
PubChem CID91745582
Molecular FormulaC29H63N3O10Si5
Molecular Weight754.26 g/mol
Exact Mass753.34
IUPAC Nametrimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate
SMILESC[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C)CCN(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C29H63N3O10Si5/c1-43(2,3)38-25(33)20-30(16-18-31(21-26(34)39-44(4,5)6)22-27(35)40-45(7,8)9)17-19-32(23-28(36)41-46(10,11)12)24-29(37)42-47(13,14)15/h16-24H2,1-15H3
InChIKeyKRXHLFPROIOQMS-UHFFFAOYSA-N
XLogP3.78
TPSA141.22 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862
trimethylsilyl 2-fluoroacetate
CID 123819311
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate
CID 529208
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate
CID 140591259
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl 6-[bis(trimethylsilyl)amino]hexanoate
CID 529226

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate?
The IUPAC name of trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate (CID 91745582) is trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate.
What is the SMILES notation for trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate?
The canonical SMILES for trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate is C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C)CCN(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate?
The InChIKey is KRXHLFPROIOQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63N3O10Si5/c1-43(2,3)38-25(33)20-30(16-18-31(21-26(34)39-44(4,5)6)22-27(35)40-45(7,8)9)17-19-32(23-28(36)41-46(10,11)12)24-29(37)42-47(13,14)15/h16-24H2,1-15H3.
What are the key properties of trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate?
trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate has a molecular weight of 754.26 g/mol, XLogP of 3.78, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate is sourced from PubChem (CID 91745582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).