bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate

C46H80N4O8Si6 — CID 158852445

IUPACbis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
SMILESCO[Si](OC)(O[Si](C)(C)CCN)O[Si](C)(C)CCN.CO[Si](OC)(O[Si](CCCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H50N2O4Si3.C10H30N2O4Si3/c1-39-45(40-2,41-43(31-19-7-17-29-37,33-21-9-3-10-22-33)34-23-11-4-12-24-34)42-44(32-20-8-18-30-38,35-25-13-5-14-26-35)36-27-15-6-16-28-36;1-13-19(14-2,15-17(3,4)9-7-11)16-18(5,6)10-8-12/h3-6,9-16,21-28H,7-8,17-20,29-32,37-38H2,1-2H3;7-12H2,1-6H3
InChIKeyIZQAYGUKRYCSAB-UHFFFAOYSA-N
MW985.68 g/mol
LogP5.60
Rot. Bonds30

About bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate

bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate (PubChem CID 158852445) has the molecular formula C46H80N4O8Si6 and a molecular weight of 985.68 g/mol. Its IUPAC name is bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate.

Molecular Properties

Compound Namebis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
PubChem CID158852445
Molecular FormulaC46H80N4O8Si6
Molecular Weight985.68 g/mol
Exact Mass984.46
IUPAC Namebis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
SMILESCO[Si](OC)(O[Si](C)(C)CCN)O[Si](C)(C)CCN.CO[Si](OC)(O[Si](CCCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H50N2O4Si3.C10H30N2O4Si3/c1-39-45(40-2,41-43(31-19-7-17-29-37,33-21-9-3-10-22-33)34-23-11-4-12-24-34)42-44(32-20-8-18-30-38,35-25-13-5-14-26-35)36-27-15-6-16-28-36;1-13-19(14-2,15-17(3,4)9-7-11)16-18(5,6)10-8-12/h3-6,9-16,21-28H,7-8,17-20,29-32,37-38H2,1-2H3;7-12H2,1-6H3
InChIKeyIZQAYGUKRYCSAB-UHFFFAOYSA-N
XLogP5.60
TPSA177.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.68
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3,3'-(1,5-Bis(3-aminopropoxy)-3,3-diphenyl-1,5-diethoxytrisiloxane-1,5-diyl)bis-(propane-1-amine)
CID 172053498
1,5-Bis-(3-aminopropyl)-1,1,5,5-tetraethoxy-3,3-diphenyltrisiloxane
CID 172907447
3,3'-(3,3-Diphenyl-1,1,5,5-tetramethoxytrisiloxane-1,5-diyl)bis-(propan-1-amine)
CID 176469666
CID 159877773
CID 159877773
CID 167601433
CID 167601433
3-[19-(3-Aminopropyl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]propan-1-amine
CID 168307483
2-[[2-Aminoethyl(diphenyl)silyl]oxy-diphenylsilyl]ethanamine
CID 19089646
4-[[3-Aminopropyl(diphenyl)silyl]methoxy-diphenylsilyl]butan-1-amine
CID 20608300
4-[(3-Aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine
CID 20608301
3-[[[3-Aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine
CID 21739277
Bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
CID 21739278
Bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
CID 21739280

Frequently Asked Questions

What is the IUPAC name of bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?
The IUPAC name of bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate (CID 158852445) is bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate.
What is the SMILES notation for bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?
The canonical SMILES for bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate is CO[Si](OC)(O[Si](C)(C)CCN)O[Si](C)(C)CCN.CO[Si](OC)(O[Si](CCCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?
The InChIKey is IZQAYGUKRYCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N2O4Si3.C10H30N2O4Si3/c1-39-45(40-2,41-43(31-19-7-17-29-37,33-21-9-3-10-22-33)34-23-11-4-12-24-34)42-44(32-20-8-18-30-38,35-25-13-5-14-26-35)36-27-15-6-16-28-36;1-13-19(14-2,15-17(3,4)9-7-11)16-18(5,6)10-8-12/h3-6,9-16,21-28H,7-8,17-20,29-32,37-38H2,1-2H3;7-12H2,1-6H3.
What are the key properties of bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?
bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate has a molecular weight of 985.68 g/mol, XLogP of 5.60, 30 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate is sourced from PubChem (CID 158852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).