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

C23H51NO4Si2 — CID 140591252

IUPACtri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
SMILESCCO[Si](C)(CCCN(CC)CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC
InChIInChI=1S/C23H51NO4Si2/c1-12-22(10)27-29(11,26-14-3)17-15-16-24(13-2)18-23(25)28-30(19(4)5,20(6)7)21(8)9/h19-22H,12-18H2,1-11H3
InChIKeyUOXRPSMNTITJFY-UHFFFAOYSA-N
MW461.84 g/mol
LogP6.34
Rot. Bonds16

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

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate (PubChem CID 140591252) has the molecular formula C23H51NO4Si2 and a molecular weight of 461.84 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
PubChem CID140591252
Molecular FormulaC23H51NO4Si2
Molecular Weight461.84 g/mol
Exact Mass461.34
IUPAC Nametri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
SMILESCCO[Si](C)(CCCN(CC)CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC
InChIInChI=1S/C23H51NO4Si2/c1-12-22(10)27-29(11,26-14-3)17-15-16-24(13-2)18-23(25)28-30(19(4)5,20(6)7)21(8)9/h19-22H,12-18H2,1-11H3
InChIKeyUOXRPSMNTITJFY-UHFFFAOYSA-N
XLogP6.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.84
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]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 tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
The IUPAC name of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate (CID 140591252) is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate.
What is the SMILES notation for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
The canonical SMILES for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate is CCO[Si](C)(CCCN(CC)CC(=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)propyl-ethylamino]acetate?
The InChIKey is UOXRPSMNTITJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO4Si2/c1-12-22(10)27-29(11,26-14-3)17-15-16-24(13-2)18-23(25)28-30(19(4)5,20(6)7)21(8)9/h19-22H,12-18H2,1-11H3.
What are the key properties of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate has a molecular weight of 461.84 g/mol, XLogP of 6.34, 16 rotatable bonds, 0 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)propyl-ethylamino]acetate is sourced from PubChem (CID 140591252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).