tributyl(4-tributylsilyloxypentan-2-yloxy)silane

C29H64O2Si2 — CID 71380604

IUPACtributyl(4-tributylsilyloxypentan-2-yloxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OC(C)CC(C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C29H64O2Si2/c1-9-15-21-32(22-16-10-2,23-17-11-3)30-28(7)27-29(8)31-33(24-18-12-4,25-19-13-5)26-20-14-6/h28-29H,9-27H2,1-8H3
InChIKeyMHVXYBCXEYGNDM-UHFFFAOYSA-N
MW501.00 g/mol
LogP10.88
Rot. Bonds24

About tributyl(4-tributylsilyloxypentan-2-yloxy)silane

tributyl(4-tributylsilyloxypentan-2-yloxy)silane (PubChem CID 71380604) has the molecular formula C29H64O2Si2 and a molecular weight of 501.00 g/mol. Its IUPAC name is tributyl(4-tributylsilyloxypentan-2-yloxy)silane.

Molecular Properties

Compound Nametributyl(4-tributylsilyloxypentan-2-yloxy)silane
PubChem CID71380604
Molecular FormulaC29H64O2Si2
Molecular Weight501.00 g/mol
Exact Mass500.44
IUPAC Nametributyl(4-tributylsilyloxypentan-2-yloxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OC(C)CC(C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C29H64O2Si2/c1-9-15-21-32(22-16-10-2,23-17-11-3)30-28(7)27-29(8)31-33(24-18-12-4,25-19-13-5)26-20-14-6/h28-29H,9-27H2,1-8H3
InChIKeyMHVXYBCXEYGNDM-UHFFFAOYSA-N
XLogP10.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.00
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tributyl(4-tributylsilyloxypentan-2-yloxy)silane?
The IUPAC name of tributyl(4-tributylsilyloxypentan-2-yloxy)silane (CID 71380604) is tributyl(4-tributylsilyloxypentan-2-yloxy)silane.
What is the SMILES notation for tributyl(4-tributylsilyloxypentan-2-yloxy)silane?
The canonical SMILES for tributyl(4-tributylsilyloxypentan-2-yloxy)silane is CCCC[Si](CCCC)(CCCC)OC(C)CC(C)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(4-tributylsilyloxypentan-2-yloxy)silane?
The InChIKey is MHVXYBCXEYGNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H64O2Si2/c1-9-15-21-32(22-16-10-2,23-17-11-3)30-28(7)27-29(8)31-33(24-18-12-4,25-19-13-5)26-20-14-6/h28-29H,9-27H2,1-8H3.
What are the key properties of tributyl(4-tributylsilyloxypentan-2-yloxy)silane?
tributyl(4-tributylsilyloxypentan-2-yloxy)silane has a molecular weight of 501.00 g/mol, XLogP of 10.88, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4-tributylsilyloxypentan-2-yloxy)silane is sourced from PubChem (CID 71380604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).