tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane

C21H43BO3Si — CID 134956995

IUPACtert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
SMILESC/C(=C/B1OC(C)(C)C(C)(C)O1)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H43BO3Si/c1-17(15-22-24-20(6,7)21(8,9)25-22)13-12-14-18(2)16-23-26(10,11)19(3,4)5/h15,18H,12-14,16H2,1-11H3/b17-15-/t18-/m0/s1
InChIKeyKQJIYFYTEJEAHP-SOBQPUOHSA-N
MW382.47 g/mol
LogP6.39
Rot. Bonds8

About tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane

tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane (PubChem CID 134956995) has the molecular formula C21H43BO3Si and a molecular weight of 382.47 g/mol. Its IUPAC name is tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
PubChem CID134956995
Molecular FormulaC21H43BO3Si
Molecular Weight382.47 g/mol
Exact Mass382.31
IUPAC Nametert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
SMILESC/C(=C/B1OC(C)(C)C(C)(C)O1)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H43BO3Si/c1-17(15-22-24-20(6,7)21(8,9)25-22)13-12-14-18(2)16-23-26(10,11)19(3,4)5/h15,18H,12-14,16H2,1-11H3/b17-15-/t18-/m0/s1
InChIKeyKQJIYFYTEJEAHP-SOBQPUOHSA-N
XLogP6.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.39
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

(E)-tert-Butyldimethyl((4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-yl)oxy)silane
CID 138978992
tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane
CID 154713039
tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
CID 154713052
tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 11602819
tert-butyl-dimethyl-[(E,4S)-4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]silane
CID 101519877
Tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 102493052
tert-butyldimethyl{[(4E)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-yl]oxy}silane
CID 155891954

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane (CID 134956995) is tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane is C/C(=C/B1OC(C)(C)C(C)(C)O1)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?
The InChIKey is KQJIYFYTEJEAHP-SOBQPUOHSA-N. The full InChI is InChI=1S/C21H43BO3Si/c1-17(15-22-24-20(6,7)21(8,9)25-22)13-12-14-18(2)16-23-26(10,11)19(3,4)5/h15,18H,12-14,16H2,1-11H3/b17-15-/t18-/m0/s1.
What are the key properties of tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?
tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane has a molecular weight of 382.47 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 134956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).