bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate

C17H39NO7Si3 — CID 88852299

IUPACbis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
SMILESCO[Si](CCCN(C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OC)OC
InChIInChI=1S/C17H39NO7Si3/c1-18(12-11-13-28(21-2,22-3)23-4)15(17(20)25-27(8,9)10)14-16(19)24-26(5,6)7/h15H,11-14H2,1-10H3
InChIKeyLRBYGJPPEXNALM-UHFFFAOYSA-N
MW453.76 g/mol
LogP2.70
Rot. Bonds13

About bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate

bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate (PubChem CID 88852299) has the molecular formula C17H39NO7Si3 and a molecular weight of 453.76 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
PubChem CID88852299
Molecular FormulaC17H39NO7Si3
Molecular Weight453.76 g/mol
Exact Mass453.20
IUPAC Namebis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
SMILESCO[Si](CCCN(C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OC)OC
InChIInChI=1S/C17H39NO7Si3/c1-18(12-11-13-28(21-2,22-3)23-4)15(17(20)25-27(8,9)10)14-16(19)24-26(5,6)7/h15H,11-14H2,1-10H3
InChIKeyLRBYGJPPEXNALM-UHFFFAOYSA-N
XLogP2.70
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.76
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate?
The IUPAC name of bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate (CID 88852299) is bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate is CO[Si](CCCN(C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OC)OC.
What is the InChIKey of bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate?
The InChIKey is LRBYGJPPEXNALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO7Si3/c1-18(12-11-13-28(21-2,22-3)23-4)15(17(20)25-27(8,9)10)14-16(19)24-26(5,6)7/h15H,11-14H2,1-10H3.
What are the key properties of bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate?
bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate has a molecular weight of 453.76 g/mol, XLogP of 2.70, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate is sourced from PubChem (CID 88852299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).