3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate

C66H88N4O6Si6 — CID 88503351

IUPAC3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
SMILESCO[Si](OC)(O[Si](CCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCN)(c1ccccc1)c1ccccc1.C[Si](C)(O[Si](CCCN)(c1ccccc1)c1ccccc1)O[Si](CCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46N2O4Si3.C32H42N2O2Si3/c1-37-43(38-2,39-41(29-17-15-27-35,31-19-7-3-8-20-31)32-21-9-4-10-22-32)40-42(30-18-16-28-36,33-23-11-5-12-24-33)34-25-13-6-14-26-34;1-37(2,35-38(27-15-25-33,29-17-7-3-8-18-29)30-19-9-4-10-20-30)36-39(28-16-26-34,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,19-26H,15-18,27-30,35-36H2,1-2H3;3-14,17-24H,15-16,25-28,33-34H2,1-2H3
InChIKeyGYMGFZLWAHELKZ-UHFFFAOYSA-N
MW1201.97 g/mol
LogP7.68
Rot. Bonds32

About 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate

3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate (PubChem CID 88503351) has the molecular formula C66H88N4O6Si6 and a molecular weight of 1201.97 g/mol. Its IUPAC name is 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate.

Molecular Properties

Compound Name3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
PubChem CID88503351
Molecular FormulaC66H88N4O6Si6
Molecular Weight1201.97 g/mol
Exact Mass1200.53
IUPAC Name3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
SMILESCO[Si](OC)(O[Si](CCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCN)(c1ccccc1)c1ccccc1.C[Si](C)(O[Si](CCCN)(c1ccccc1)c1ccccc1)O[Si](CCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46N2O4Si3.C32H42N2O2Si3/c1-37-43(38-2,39-41(29-17-15-27-35,31-19-7-3-8-20-31)32-21-9-4-10-22-32)40-42(30-18-16-28-36,33-23-11-5-12-24-33)34-25-13-6-14-26-34;1-37(2,35-38(27-15-25-33,29-17-7-3-8-18-29)30-19-9-4-10-20-30)36-39(28-16-26-34,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,19-26H,15-18,27-30,35-36H2,1-2H3;3-14,17-24H,15-16,25-28,33-34H2,1-2H3
InChIKeyGYMGFZLWAHELKZ-UHFFFAOYSA-N
XLogP7.68
TPSA159.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.97
LogP ≤ 57.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate?
The IUPAC name of 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate (CID 88503351) is 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate.
What is the SMILES notation for 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate?
The canonical SMILES for 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate is CO[Si](OC)(O[Si](CCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCN)(c1ccccc1)c1ccccc1.C[Si](C)(O[Si](CCCN)(c1ccccc1)c1ccccc1)O[Si](CCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate?
The InChIKey is GYMGFZLWAHELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O4Si3.C32H42N2O2Si3/c1-37-43(38-2,39-41(29-17-15-27-35,31-19-7-3-8-20-31)32-21-9-4-10-22-32)40-42(30-18-16-28-36,33-23-11-5-12-24-33)34-25-13-6-14-26-34;1-37(2,35-38(27-15-25-33,29-17-7-3-8-18-29)30-19-9-4-10-20-30)36-39(28-16-26-34,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,19-26H,15-18,27-30,35-36H2,1-2H3;3-14,17-24H,15-16,25-28,33-34H2,1-2H3.
What are the key properties of 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate?
3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate has a molecular weight of 1201.97 g/mol, XLogP of 7.68, 32 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine;bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate is sourced from PubChem (CID 88503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).