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

C15H31BO3Si — CID 10968526

IUPACtert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
SMILESCC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C15H31BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-11H,12H2,1-9H3/b11-10+
InChIKeyLUURLZJMKOVITO-ZHACJKMWSA-N
MW298.31 g/mol
LogP4.20
Rot. Bonds4

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

tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane (PubChem CID 10968526) has the molecular formula C15H31BO3Si and a molecular weight of 298.31 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
PubChem CID10968526
Molecular FormulaC15H31BO3Si
Molecular Weight298.31 g/mol
Exact Mass298.21
IUPAC Nametert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
SMILESCC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C15H31BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-11H,12H2,1-9H3/b11-10+
InChIKeyLUURLZJMKOVITO-ZHACJKMWSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.20
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

tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
CID 102260350
[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
CID 101153950
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
CID 25023111
tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane
CID 102361534
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
2-(3-bromoprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71332875
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 102147244
5-bromo-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(4-fluorophenyl)methyl]pyrazin-2-one;5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(4-fluorophenyl)methyl]pyrazin-2-one;tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
CID 158443112

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane (CID 10968526) is tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane is CC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?
The InChIKey is LUURLZJMKOVITO-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H31BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-11H,12H2,1-9H3/b11-10+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane has a molecular weight of 298.31 g/mol, XLogP of 4.20, 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)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane is sourced from PubChem (CID 10968526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).