bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate

C32H42N2O4Si3 — CID 139926252

IUPACbis[1-aminopropyl(diphenyl)silyl] dimethyl silicate
SMILESCCC(N)[Si](O[Si](OC)(OC)O[Si](c1ccccc1)(c1ccccc1)C(N)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42N2O4Si3/c1-5-31(33)39(27-19-11-7-12-20-27,28-21-13-8-14-22-28)37-41(35-3,36-4)38-40(32(34)6-2,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26,31-32H,5-6,33-34H2,1-4H3
InChIKeyRGOFWNHSJFCRKY-UHFFFAOYSA-N
MW602.96 g/mol
LogP2.82
Rot. Bonds14

About bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate

bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate (PubChem CID 139926252) has the molecular formula C32H42N2O4Si3 and a molecular weight of 602.96 g/mol. Its IUPAC name is bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate.

Molecular Properties

Compound Namebis[1-aminopropyl(diphenyl)silyl] dimethyl silicate
PubChem CID139926252
Molecular FormulaC32H42N2O4Si3
Molecular Weight602.96 g/mol
Exact Mass602.25
IUPAC Namebis[1-aminopropyl(diphenyl)silyl] dimethyl silicate
SMILESCCC(N)[Si](O[Si](OC)(OC)O[Si](c1ccccc1)(c1ccccc1)C(N)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42N2O4Si3/c1-5-31(33)39(27-19-11-7-12-20-27,28-21-13-8-14-22-28)37-41(35-3,36-4)38-40(32(34)6-2,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26,31-32H,5-6,33-34H2,1-4H3
InChIKeyRGOFWNHSJFCRKY-UHFFFAOYSA-N
XLogP2.82
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.96
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-amino-, reaction products with 1,3,5-trimethoxy-1,5-dimethyl-1,3,5-triphenyltrisiloxane
CID 90659486
2,2,4,4,6,6,8,8-Octamethyl-10,10,12,12-tetraphenyl-[1,3,5,7,9,11,2,4,6,8,10,12]cyclohexasiloxane
CID 6429723
Trimethyl-[methyl-[methyl-[methyl-(methyl-phenyl-trimethylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilyl]oxy-phenylsilyl]oxysilane
CID 25821
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
Tris[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane
CID 54398329
CID 159877773
CID 159877773
CID 167601433
CID 167601433
1,5-Di(ethylamino)-dekaphenylpentasilan
CID 12634680
1,11-Divinyl-1,1,3,5,7,9,11,11-octamethyl-3,5,7,9-tetraphenylhexasiloxane
CID 129878745
1,1-Bis(tert-butylamido)-3,3,5,5-tetraphenylcyclotrisiloxane
CID 139069872

Frequently Asked Questions

What is the IUPAC name of bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate?
The IUPAC name of bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate (CID 139926252) is bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate.
What is the SMILES notation for bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate?
The canonical SMILES for bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate is CCC(N)[Si](O[Si](OC)(OC)O[Si](c1ccccc1)(c1ccccc1)C(N)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate?
The InChIKey is RGOFWNHSJFCRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O4Si3/c1-5-31(33)39(27-19-11-7-12-20-27,28-21-13-8-14-22-28)37-41(35-3,36-4)38-40(32(34)6-2,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26,31-32H,5-6,33-34H2,1-4H3.
What are the key properties of bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate?
bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate has a molecular weight of 602.96 g/mol, XLogP of 2.82, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-aminopropyl(diphenyl)silyl] dimethyl silicate is sourced from PubChem (CID 139926252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).