tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate

C21H47NO4Si2 — CID 140591101

IUPACtri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
SMILESCCO[Si](C)(CCCNCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC
InChIInChI=1S/C21H47NO4Si2/c1-11-20(9)25-27(10,24-12-2)15-13-14-22-16-21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3
InChIKeyIUKWCZZAHUYNNN-UHFFFAOYSA-N
MW433.78 g/mol
LogP5.61
Rot. Bonds15

About tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate (PubChem CID 140591101) has the molecular formula C21H47NO4Si2 and a molecular weight of 433.78 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
PubChem CID140591101
Molecular FormulaC21H47NO4Si2
Molecular Weight433.78 g/mol
Exact Mass433.30
IUPAC Nametri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
SMILESCCO[Si](C)(CCCNCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC
InChIInChI=1S/C21H47NO4Si2/c1-11-20(9)25-27(10,24-12-2)15-13-14-22-16-21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3
InChIKeyIUKWCZZAHUYNNN-UHFFFAOYSA-N
XLogP5.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.78
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?
The IUPAC name of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate (CID 140591101) is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate.
What is the SMILES notation for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?
The canonical SMILES for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate is CCO[Si](C)(CCCNCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC.
What is the InChIKey of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?
The InChIKey is IUKWCZZAHUYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NO4Si2/c1-11-20(9)25-27(10,24-12-2)15-13-14-22-16-21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3.
What are the key properties of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate has a molecular weight of 433.78 g/mol, XLogP of 5.61, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate is sourced from PubChem (CID 140591101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).