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

C19H37BO3Si — CID 102396880

IUPACtert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
SMILESC=C(C)/C(=C/CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO3Si/c1-15(2)16(20-22-18(6,7)19(8,9)23-20)13-12-14-21-24(10,11)17(3,4)5/h13H,1,12,14H2,2-11H3/b16-13-
InChIKeyXFEJXEMREKOHEX-SSZFMOIBSA-N
MW352.40 g/mol
LogP5.53
Rot. Bonds6

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

tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane (PubChem CID 102396880) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
PubChem CID102396880
Molecular FormulaC19H37BO3Si
Molecular Weight352.40 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
SMILESC=C(C)/C(=C/CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO3Si/c1-15(2)16(20-22-18(6,7)19(8,9)23-20)13-12-14-21-24(10,11)17(3,4)5/h13H,1,12,14H2,2-11H3/b16-13-
InChIKeyXFEJXEMREKOHEX-SSZFMOIBSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.53
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'}, {'alert_name': 'polyene', '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
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 101555549
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane
CID 102031024
tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane
CID 134878857
tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane
CID 134878858
tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 134999863
tert-butyl-dimethyl-[(E)-2-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
CID 135001091
tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane
CID 138970959
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane
CID 154712813
tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane
CID 154715582
tert-butyl-[(E,2S,3R)-2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-4-enoxy]-dimethylsilane
CID 154719608

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane (CID 102396880) is tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane is C=C(C)/C(=C/CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
The InChIKey is XFEJXEMREKOHEX-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-15(2)16(20-22-18(6,7)19(8,9)23-20)13-12-14-21-24(10,11)17(3,4)5/h13H,1,12,14H2,2-11H3/b16-13-.
What are the key properties of tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane has a molecular weight of 352.40 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane is sourced from PubChem (CID 102396880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).