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'}

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Related Compounds

triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591360
triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
CID 140591113
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591252
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate
CID 140591259
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
CID 140591101
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
CID 140591318
bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine
CID 87069481
bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
CID 88852131
trimethylsilyl 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
CID 88852108

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).