tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane

C16H33BO3Si — CID 11688192

IUPACtert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane
SMILESCC(/C=C/B1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33BO3Si/c1-13(18-21(9,10)14(2,3)4)11-12-17-19-15(5,6)16(7,8)20-17/h11-13H,1-10H3/b12-11+
InChIKeyXNNHWSPNEKSQPM-VAWYXSNFSA-N
MW312.33 g/mol
LogP4.58
Rot. Bonds4

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

tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane (PubChem CID 11688192) has the molecular formula C16H33BO3Si and a molecular weight of 312.33 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane
PubChem CID11688192
Molecular FormulaC16H33BO3Si
Molecular Weight312.33 g/mol
Exact Mass312.23
IUPAC Nametert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane
SMILESCC(/C=C/B1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33BO3Si/c1-13(18-21(9,10)14(2,3)4)11-12-17-19-15(5,6)16(7,8)20-17/h11-13H,1-10H3/b12-11+
InChIKeyXNNHWSPNEKSQPM-VAWYXSNFSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.58
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-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane (CID 11688192) is tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane is CC(/C=C/B1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane?
The InChIKey is XNNHWSPNEKSQPM-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H33BO3Si/c1-13(18-21(9,10)14(2,3)4)11-12-17-19-15(5,6)16(7,8)20-17/h11-13H,1-10H3/b12-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane has a molecular weight of 312.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]oxysilane is sourced from PubChem (CID 11688192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).