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

C17H33BO3Si — CID 135001091

IUPACtert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
SMILESC=C(/C=C/B1OC(C)(C)C(C)(C)O1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BO3Si/c1-14(13-19-22(9,10)15(2,3)4)11-12-18-20-16(5,6)17(7,8)21-18/h11-12H,1,13H2,2-10H3/b12-11+
InChIKeyHPJUUPJNQMGBRH-VAWYXSNFSA-N
MW324.35 g/mol
LogP4.75
Rot. Bonds5

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

tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane (PubChem CID 135001091) has the molecular formula C17H33BO3Si and a molecular weight of 324.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
PubChem CID135001091
Molecular FormulaC17H33BO3Si
Molecular Weight324.35 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
SMILESC=C(/C=C/B1OC(C)(C)C(C)(C)O1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BO3Si/c1-14(13-19-22(9,10)15(2,3)4)11-12-18-20-16(5,6)17(7,8)21-18/h11-12H,1,13H2,2-10H3/b12-11+
InChIKeyHPJUUPJNQMGBRH-VAWYXSNFSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane (CID 135001091) is tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane is C=C(/C=C/B1OC(C)(C)C(C)(C)O1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
The InChIKey is HPJUUPJNQMGBRH-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H33BO3Si/c1-14(13-19-22(9,10)15(2,3)4)11-12-18-20-16(5,6)17(7,8)21-18/h11-12H,1,13H2,2-10H3/b12-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane has a molecular weight of 324.35 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane is sourced from PubChem (CID 135001091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).