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

C19H39BO3Si — CID 10959164

IUPACtert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane
SMILESC=C(CC(O[Si](C)(C)C(C)(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H39BO3Si/c1-14(2)16(21-24(11,12)17(4,5)6)13-15(3)20-22-18(7,8)19(9,10)23-20/h14,16H,3,13H2,1-2,4-12H3
InChIKeyJIANZBKCNFOLHX-UHFFFAOYSA-N
MW354.42 g/mol
LogP5.61
Rot. Bonds6

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

tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane (PubChem CID 10959164) has the molecular formula C19H39BO3Si and a molecular weight of 354.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane
PubChem CID10959164
Molecular FormulaC19H39BO3Si
Molecular Weight354.42 g/mol
Exact Mass354.28
IUPAC Nametert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane
SMILESC=C(CC(O[Si](C)(C)C(C)(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H39BO3Si/c1-14(2)16(21-24(11,12)17(4,5)6)13-15(3)20-22-18(7,8)19(9,10)23-20/h14,16H,3,13H2,1-2,4-12H3
InChIKeyJIANZBKCNFOLHX-UHFFFAOYSA-N
XLogP5.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 16217344
tert-Butyldimethyl((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 11347477
tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 24850804
tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]-dimethylsilane
CID 49765288
tert-butyl-dimethyl-[(1E,3R,4R,5E)-3,5,8-trimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-1,5-dien-4-yl]oxysilane
CID 60153233
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 101350027
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane
CID 101499393
[(E)-2-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
CID 101555548
[(Z)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
CID 101850251
tert-butyl-[(Z)-3-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]-dimethylsilane
CID 101850252
[(Z)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-dimethyl-propan-2-yloxysilane
CID 101850253
dimethyl-propan-2-yloxy-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-2-yl]silane
CID 102088903

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane (CID 10959164) is tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane is C=C(CC(O[Si](C)(C)C(C)(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane?
The InChIKey is JIANZBKCNFOLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39BO3Si/c1-14(2)16(21-24(11,12)17(4,5)6)13-15(3)20-22-18(7,8)19(9,10)23-20/h14,16H,3,13H2,1-2,4-12H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane?
tert-butyl-dimethyl-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane has a molecular weight of 354.42 g/mol, XLogP of 5.61, 6 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-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-3-yl]oxysilane is sourced from PubChem (CID 10959164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).