triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate

C21H49NO4Si3 — CID 140591135

IUPACtriethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
SMILESCCO[Si](C)(CCCN(CC(=O)O[Si](CC)(CC)CC)[Si](C)(C)C)OC(C)CC
InChIInChI=1S/C21H49NO4Si3/c1-11-20(6)25-28(10,24-12-2)18-16-17-22(27(7,8)9)19-21(23)26-29(13-3,14-4)15-5/h20H,11-19H2,1-10H3
InChIKeyMYWNPPNJENCUES-UHFFFAOYSA-N
MW463.88 g/mol
LogP5.99
Rot. Bonds16

About triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate

triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate (PubChem CID 140591135) has the molecular formula C21H49NO4Si3 and a molecular weight of 463.88 g/mol. Its IUPAC name is triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate.

Molecular Properties

Compound Nametriethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
PubChem CID140591135
Molecular FormulaC21H49NO4Si3
Molecular Weight463.88 g/mol
Exact Mass463.30
IUPAC Nametriethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
SMILESCCO[Si](C)(CCCN(CC(=O)O[Si](CC)(CC)CC)[Si](C)(C)C)OC(C)CC
InChIInChI=1S/C21H49NO4Si3/c1-11-20(6)25-28(10,24-12-2)18-16-17-22(27(7,8)9)19-21(23)26-29(13-3,14-4)15-5/h20H,11-19H2,1-10H3
InChIKeyMYWNPPNJENCUES-UHFFFAOYSA-N
XLogP5.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.88
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate?
The IUPAC name of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate (CID 140591135) is triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate.
What is the SMILES notation for triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate?
The canonical SMILES for triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate is CCO[Si](C)(CCCN(CC(=O)O[Si](CC)(CC)CC)[Si](C)(C)C)OC(C)CC.
What is the InChIKey of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate?
The InChIKey is MYWNPPNJENCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H49NO4Si3/c1-11-20(6)25-28(10,24-12-2)18-16-17-22(27(7,8)9)19-21(23)26-29(13-3,14-4)15-5/h20H,11-19H2,1-10H3.
What are the key properties of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate?
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate has a molecular weight of 463.88 g/mol, XLogP of 5.99, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate is sourced from PubChem (CID 140591135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).