[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane

C15H23BO3Si — CID 101153950

IUPAC[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C\B1Oc2ccccc2O1
InChIInChI=1S/C15H23BO3Si/c1-15(2,3)20(4,5)17-12-8-11-16-18-13-9-6-7-10-14(13)19-16/h6-11H,12H2,1-5H3/b11-8-
InChIKeyXKMPEEGJNPBGHT-FLIBITNWSA-N
MW290.24 g/mol
LogP4.06
Rot. Bonds4

About [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane

[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 101153950) has the molecular formula C15H23BO3Si and a molecular weight of 290.24 g/mol. Its IUPAC name is [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID101153950
Molecular FormulaC15H23BO3Si
Molecular Weight290.24 g/mol
Exact Mass290.15
IUPAC Name[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C\B1Oc2ccccc2O1
InChIInChI=1S/C15H23BO3Si/c1-15(2,3)20(4,5)17-12-8-11-16-18-13-9-6-7-10-14(13)19-16/h6-11H,12H2,1-5H3/b11-8-
InChIKeyXKMPEEGJNPBGHT-FLIBITNWSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.06
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-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
CID 10968526
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CID 123215238
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
CID 16720182
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
CID 11324648
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
CID 67464197
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal
CID 102147195

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane (CID 101153950) is [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C\B1Oc2ccccc2O1.
What is the InChIKey of [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is XKMPEEGJNPBGHT-FLIBITNWSA-N. The full InChI is InChI=1S/C15H23BO3Si/c1-15(2,3)20(4,5)17-12-8-11-16-18-13-9-6-7-10-14(13)19-16/h6-11H,12H2,1-5H3/b11-8-.
What are the key properties of [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 290.24 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101153950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).