di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane

C23H51NO4Si2 — CID 123680993

IUPACdi(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane
SMILESCCC(C)[Si](OC)(O[Si](OCC1CC(C)CN1O)(C(C)CC)C(C)CC)C(C)CC
InChIInChI=1S/C23H51NO4Si2/c1-11-19(6)29(26-10,20(7)12-2)28-30(21(8)13-3,22(9)14-4)27-17-23-15-18(5)16-24(23)25/h18-23,25H,11-17H2,1-10H3
InChIKeyGWTLZAORTFVKEI-UHFFFAOYSA-N
MW461.84 g/mol
LogP6.85
Rot. Bonds14

About di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane

di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane (PubChem CID 123680993) has the molecular formula C23H51NO4Si2 and a molecular weight of 461.84 g/mol. Its IUPAC name is di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane.

Molecular Properties

Compound Namedi(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane
PubChem CID123680993
Molecular FormulaC23H51NO4Si2
Molecular Weight461.84 g/mol
Exact Mass461.34
IUPAC Namedi(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane
SMILESCCC(C)[Si](OC)(O[Si](OCC1CC(C)CN1O)(C(C)CC)C(C)CC)C(C)CC
InChIInChI=1S/C23H51NO4Si2/c1-11-19(6)29(26-10,20(7)12-2)28-30(21(8)13-3,22(9)14-4)27-17-23-15-18(5)16-24(23)25/h18-23,25H,11-17H2,1-10H3
InChIKeyGWTLZAORTFVKEI-UHFFFAOYSA-N
XLogP6.85
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.84
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane?
The IUPAC name of di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane (CID 123680993) is di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane.
What is the SMILES notation for di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane?
The canonical SMILES for di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane is CCC(C)[Si](OC)(O[Si](OCC1CC(C)CN1O)(C(C)CC)C(C)CC)C(C)CC.
What is the InChIKey of di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane?
The InChIKey is GWTLZAORTFVKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO4Si2/c1-11-19(6)29(26-10,20(7)12-2)28-30(21(8)13-3,22(9)14-4)27-17-23-15-18(5)16-24(23)25/h18-23,25H,11-17H2,1-10H3.
What are the key properties of di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane?
di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane has a molecular weight of 461.84 g/mol, XLogP of 6.85, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-[di(butan-2-yl)-[(1-hydroxy-4-methylpyrrolidin-2-yl)methoxy]silyl]oxy-methoxysilane is sourced from PubChem (CID 123680993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).