tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane

C13H30O3Si — CID 15724257

IUPACtert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane
SMILESCOC(OC)C(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(12(14-5)15-6)9-10-16-17(7,8)13(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyPYFNIVKSUDAWFP-UHFFFAOYSA-N
MW262.47 g/mol
LogP3.65
Rot. Bonds7

About tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane

tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane (PubChem CID 15724257) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane
PubChem CID15724257
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Nametert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane
SMILESCOC(OC)C(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(12(14-5)15-6)9-10-16-17(7,8)13(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyPYFNIVKSUDAWFP-UHFFFAOYSA-N
XLogP3.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane (CID 15724257) is tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane is COC(OC)C(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane?
The InChIKey is PYFNIVKSUDAWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-11(12(14-5)15-6)9-10-16-17(7,8)13(2,3)4/h11-12H,9-10H2,1-8H3.
What are the key properties of tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane?
tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane has a molecular weight of 262.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethoxy-3-methylbutoxy)-dimethylsilane is sourced from PubChem (CID 15724257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).