tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane

C20H41BO3Si — CID 10883118

IUPACtert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane
SMILESC[C@H](/C=C\CB1OC(C)(C)C(C)(C)O1)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BO3Si/c1-16(17(2)15-22-25(10,11)18(3,4)5)13-12-14-21-23-19(6,7)20(8,9)24-21/h12-13,16-17H,14-15H2,1-11H3/b13-12-/t16-,17+/m1/s1
InChIKeyFMMVJUCTKNWPSU-MCYMDBPJSA-N
MW368.44 g/mol
LogP5.93
Rot. Bonds7

About tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane

tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane (PubChem CID 10883118) has the molecular formula C20H41BO3Si and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane
PubChem CID10883118
Molecular FormulaC20H41BO3Si
Molecular Weight368.44 g/mol
Exact Mass368.29
IUPAC Nametert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane
SMILESC[C@H](/C=C\CB1OC(C)(C)C(C)(C)O1)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BO3Si/c1-16(17(2)15-22-25(10,11)18(3,4)5)13-12-14-21-23-19(6,7)20(8,9)24-21/h12-13,16-17H,14-15H2,1-11H3/b13-12-/t16-,17+/m1/s1
InChIKeyFMMVJUCTKNWPSU-MCYMDBPJSA-N
XLogP5.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane (CID 10883118) is tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane is C[C@H](/C=C\CB1OC(C)(C)C(C)(C)O1)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane?
The InChIKey is FMMVJUCTKNWPSU-MCYMDBPJSA-N. The full InChI is InChI=1S/C20H41BO3Si/c1-16(17(2)15-22-25(10,11)18(3,4)5)13-12-14-21-23-19(6,7)20(8,9)24-21/h12-13,16-17H,14-15H2,1-11H3/b13-12-/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane?
tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane has a molecular weight of 368.44 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10883118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).