1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane

C22H52O3Si3 — CID 91696648

IUPAC1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H52O3Si3/c1-20(2,3)26(10,11)23-17-16-19(25-28(14,15)22(7,8)9)18-24-27(12,13)21(4,5)6/h19H,16-18H2,1-15H3
InChIKeyAWQFGFFINPSCOA-UHFFFAOYSA-N
MW448.91 g/mol
LogP7.81
Rot. Bonds9

About 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane

1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 91696648) has the molecular formula C22H52O3Si3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID91696648
Molecular FormulaC22H52O3Si3
Molecular Weight448.91 g/mol
Exact Mass448.32
IUPAC Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H52O3Si3/c1-20(2,3)26(10,11)23-17-16-19(25-28(14,15)22(7,8)9)18-24-27(12,13)21(4,5)6/h19H,16-18H2,1-15H3
InChIKeyAWQFGFFINPSCOA-UHFFFAOYSA-N
XLogP7.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane (CID 91696648) is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is AWQFGFFINPSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52O3Si3/c1-20(2,3)26(10,11)23-17-16-19(25-28(14,15)22(7,8)9)18-24-27(12,13)21(4,5)6/h19H,16-18H2,1-15H3.
What are the key properties of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane?
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 448.91 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91696648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).