2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine

C39H54N2O2Si2 — CID 156711519

IUPAC2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine
SMILESCC(C)(C)[Si](OCCC(CN)(CN)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H54N2O2Si2/c1-37(2,3)44(33-19-11-7-12-20-33,34-21-13-8-14-22-34)42-29-27-39(31-40,32-41)28-30-43-45(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26H,27-32,40-41H2,1-6H3
InChIKeyDUUQUTGCKWZCJN-UHFFFAOYSA-N
MW639.05 g/mol
LogP5.82
Rot. Bonds14

About 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine

2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine (PubChem CID 156711519) has the molecular formula C39H54N2O2Si2 and a molecular weight of 639.05 g/mol. Its IUPAC name is 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine
PubChem CID156711519
Molecular FormulaC39H54N2O2Si2
Molecular Weight639.05 g/mol
Exact Mass638.37
IUPAC Name2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine
SMILESCC(C)(C)[Si](OCCC(CN)(CN)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H54N2O2Si2/c1-37(2,3)44(33-19-11-7-12-20-33,34-21-13-8-14-22-34)42-29-27-39(31-40,32-41)28-30-43-45(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26H,27-32,40-41H2,1-6H3
InChIKeyDUUQUTGCKWZCJN-UHFFFAOYSA-N
XLogP5.82
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.05
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine?
The IUPAC name of 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine (CID 156711519) is 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine?
The canonical SMILES for 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine is CC(C)(C)[Si](OCCC(CN)(CN)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine?
The InChIKey is DUUQUTGCKWZCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H54N2O2Si2/c1-37(2,3)44(33-19-11-7-12-20-33,34-21-13-8-14-22-34)42-29-27-39(31-40,32-41)28-30-43-45(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26H,27-32,40-41H2,1-6H3.
What are the key properties of 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine?
2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine has a molecular weight of 639.05 g/mol, XLogP of 5.82, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]propane-1,3-diamine is sourced from PubChem (CID 156711519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).