tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane

C25H45BO3Si2 — CID 135060739

IUPACtert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
SMILESC=C(C[C@H](CO[Si](C)(C)C(C)(C)C)[Si](C)(C)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H45BO3Si2/c1-20(26-28-24(5,6)25(7,8)29-26)18-22(19-27-31(11,12)23(2,3)4)30(9,10)21-16-14-13-15-17-21/h13-17,22H,1,18-19H2,2-12H3/t22-/m1/s1
InChIKeyUVFCQBCANLXYBT-JOCHJYFZSA-N
MW460.62 g/mol
LogP6.57
Rot. Bonds8

About tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane

tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane (PubChem CID 135060739) has the molecular formula C25H45BO3Si2 and a molecular weight of 460.62 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
PubChem CID135060739
Molecular FormulaC25H45BO3Si2
Molecular Weight460.62 g/mol
Exact Mass460.30
IUPAC Nametert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
SMILESC=C(C[C@H](CO[Si](C)(C)C(C)(C)C)[Si](C)(C)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H45BO3Si2/c1-20(26-28-24(5,6)25(7,8)29-26)18-22(19-27-31(11,12)23(2,3)4)30(9,10)21-16-14-13-15-17-21/h13-17,22H,1,18-19H2,2-12H3/t22-/m1/s1
InChIKeyUVFCQBCANLXYBT-JOCHJYFZSA-N
XLogP6.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.57
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

dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane
CID 135049091
[(3S)-3-[dimethyl(phenyl)silyl]-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl] acetate
CID 135850446
(2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-2-amine
CID 129009830
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772458
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772457
(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
CID 11598732
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
dimethyl-phenyl-[2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
CID 134904088
[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
CID 100945364
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 135061997

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane (CID 135060739) is tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane is C=C(C[C@H](CO[Si](C)(C)C(C)(C)C)[Si](C)(C)c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?
The InChIKey is UVFCQBCANLXYBT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H45BO3Si2/c1-20(26-28-24(5,6)25(7,8)29-26)18-22(19-27-31(11,12)23(2,3)4)30(9,10)21-16-14-13-15-17-21/h13-17,22H,1,18-19H2,2-12H3/t22-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane has a molecular weight of 460.62 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 135060739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).