tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

C16H35BO3Si — CID 11278454

IUPACtert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC(CO[Si](C)(C)C(C)(C)C)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO3Si/c1-13(12-18-21(9,10)14(2,3)4)11-17-19-15(5,6)16(7,8)20-17/h13H,11-12H2,1-10H3
InChIKeyCHRJQMCDBNBPKU-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (PubChem CID 11278454) has the molecular formula C16H35BO3Si and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
PubChem CID11278454
Molecular FormulaC16H35BO3Si
Molecular Weight314.35 g/mol
Exact Mass314.24
IUPAC Nametert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC(CO[Si](C)(C)C(C)(C)C)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO3Si/c1-13(12-18-21(9,10)14(2,3)4)11-17-19-15(5,6)16(7,8)20-17/h13H,11-12H2,1-10H3
InChIKeyCHRJQMCDBNBPKU-UHFFFAOYSA-N
XLogP4.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (CID 11278454) is tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is CC(CO[Si](C)(C)C(C)(C)C)CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The InChIKey is CHRJQMCDBNBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BO3Si/c1-13(12-18-21(9,10)14(2,3)4)11-17-19-15(5,6)16(7,8)20-17/h13H,11-12H2,1-10H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane has a molecular weight of 314.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is sourced from PubChem (CID 11278454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).