tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane

C17H35BO3Si — CID 11851250

IUPACtert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
SMILESCC1(C)OB(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C17H35BO3Si/c1-15(2,3)22(8,9)19-14-12-10-11-13-18-20-16(4,5)17(6,7)21-18/h11,13H,10,12,14H2,1-9H3/b13-11+
InChIKeyLRUHQAVNAZLVKC-ACCUITESSA-N
MW326.36 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane

tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane (PubChem CID 11851250) has the molecular formula C17H35BO3Si and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
PubChem CID11851250
Molecular FormulaC17H35BO3Si
Molecular Weight326.36 g/mol
Exact Mass326.24
IUPAC Nametert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
SMILESCC1(C)OB(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C17H35BO3Si/c1-15(2,3)22(8,9)19-14-12-10-11-13-18-20-16(4,5)17(6,7)21-18/h11,13H,10,12,14H2,1-9H3/b13-11+
InChIKeyLRUHQAVNAZLVKC-ACCUITESSA-N
XLogP4.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane (CID 11851250) is tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane is CC1(C)OB(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The InChIKey is LRUHQAVNAZLVKC-ACCUITESSA-N. The full InChI is InChI=1S/C17H35BO3Si/c1-15(2,3)22(8,9)19-14-12-10-11-13-18-20-16(4,5)17(6,7)21-18/h11,13H,10,12,14H2,1-9H3/b13-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane has a molecular weight of 326.36 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane is sourced from PubChem (CID 11851250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).