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

C17H39NO5Si2 — CID 140591318

IUPACtrimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
SMILESCCO[Si](CCCN(C)CC(=O)O[Si](C)(C)C)(OCC)OC(C)CC
InChIInChI=1S/C17H39NO5Si2/c1-9-16(4)22-25(20-10-2,21-11-3)14-12-13-18(5)15-17(19)23-24(6,7)8/h16H,9-15H2,1-8H3
InChIKeyVDYJTRWCPPBTRS-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.51
Rot. Bonds14

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

trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate (PubChem CID 140591318) has the molecular formula C17H39NO5Si2 and a molecular weight of 393.67 g/mol. Its IUPAC name is trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
PubChem CID140591318
Molecular FormulaC17H39NO5Si2
Molecular Weight393.67 g/mol
Exact Mass393.24
IUPAC Nametrimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
SMILESCCO[Si](CCCN(C)CC(=O)O[Si](C)(C)C)(OCC)OC(C)CC
InChIInChI=1S/C17H39NO5Si2/c1-9-16(4)22-25(20-10-2,21-11-3)14-12-13-18(5)15-17(19)23-24(6,7)8/h16H,9-15H2,1-8H3
InChIKeyVDYJTRWCPPBTRS-UHFFFAOYSA-N
XLogP3.51
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate?
The IUPAC name of trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate (CID 140591318) is trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate.
What is the SMILES notation for trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate?
The canonical SMILES for trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate is CCO[Si](CCCN(C)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-methylamino]acetate?
The InChIKey is VDYJTRWCPPBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5Si2/c1-9-16(4)22-25(20-10-2,21-11-3)14-12-13-18(5)15-17(19)23-24(6,7)8/h16H,9-15H2,1-8H3.
What are the key properties of trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate?
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate has a molecular weight of 393.67 g/mol, XLogP of 3.51, 14 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-methylamino]acetate is sourced from PubChem (CID 140591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).