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

C13H27BO3Si — CID 134906606

IUPACtert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
SMILESC[C@@H]1OB(C/C=C/O[Si](C)(C)C(C)(C)C)O[C@H]1C
InChIInChI=1S/C13H27BO3Si/c1-11-12(2)17-14(16-11)9-8-10-15-18(6,7)13(3,4)5/h8,10-12H,9H2,1-7H3/b10-8+/t11-,12-/m0/s1
InChIKeyJBTNKMOTNUIQKH-IMNITIESSA-N
MW270.25 g/mol
LogP3.83
Rot. Bonds4

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

tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane (PubChem CID 134906606) has the molecular formula C13H27BO3Si and a molecular weight of 270.25 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
PubChem CID134906606
Molecular FormulaC13H27BO3Si
Molecular Weight270.25 g/mol
Exact Mass270.18
IUPAC Nametert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
SMILESC[C@@H]1OB(C/C=C/O[Si](C)(C)C(C)(C)C)O[C@H]1C
InChIInChI=1S/C13H27BO3Si/c1-11-12(2)17-14(16-11)9-8-10-15-18(6,7)13(3,4)5/h8,10-12H,9H2,1-7H3/b10-8+/t11-,12-/m0/s1
InChIKeyJBTNKMOTNUIQKH-IMNITIESSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane (CID 134906606) is tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane is C[C@@H]1OB(C/C=C/O[Si](C)(C)C(C)(C)C)O[C@H]1C.
What is the InChIKey of tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane?
The InChIKey is JBTNKMOTNUIQKH-IMNITIESSA-N. The full InChI is InChI=1S/C13H27BO3Si/c1-11-12(2)17-14(16-11)9-8-10-15-18(6,7)13(3,4)5/h8,10-12H,9H2,1-7H3/b10-8+/t11-,12-/m0/s1.
What are the key properties of tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane?
tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane has a molecular weight of 270.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-[(4S,5S)-4,5-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane is sourced from PubChem (CID 134906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).