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

C19H37BO3Si — CID 135048704

IUPACtert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
SMILESCC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)O[C@H]1C1CCCCC1
InChIInChI=1S/C19H37BO3Si/c1-18(2,3)24(6,7)21-15-11-14-20-22-17(19(4,5)23-20)16-12-9-8-10-13-16/h11,14,16-17H,8-10,12-13,15H2,1-7H3/b14-11+/t17-/m0/s1
InChIKeyGWVFJCDHZHNBNZ-WKOYGUFESA-N
MW352.40 g/mol
LogP5.37
Rot. Bonds5

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

tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 135048704) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
PubChem CID135048704
Molecular FormulaC19H37BO3Si
Molecular Weight352.40 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
SMILESCC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)O[C@H]1C1CCCCC1
InChIInChI=1S/C19H37BO3Si/c1-18(2,3)24(6,7)21-15-11-14-20-22-17(19(4,5)23-20)16-12-9-8-10-13-16/h11,14,16-17H,8-10,12-13,15H2,1-7H3/b14-11+/t17-/m0/s1
InChIKeyGWVFJCDHZHNBNZ-WKOYGUFESA-N
XLogP5.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.37
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-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
CID 10597475
tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
CID 10525390
tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
CID 134903708
[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
CID 134944787
tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
CID 154712141
tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
CID 154713052
[(Z,4R)-4-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
CID 56593722
tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane
CID 101201291
tert-butyl-[(E)-3-(2-butyl-4,5-dimethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-cyclohexylprop-2-enoxy]-dimethylsilane
CID 101936203
[(E,4R)-4-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
CID 101958386

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane (CID 135048704) is tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane is CC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)O[C@H]1C1CCCCC1.
What is the InChIKey of tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?
The InChIKey is GWVFJCDHZHNBNZ-WKOYGUFESA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-18(2,3)24(6,7)21-15-11-14-20-22-17(19(4,5)23-20)16-12-9-8-10-13-16/h11,14,16-17H,8-10,12-13,15H2,1-7H3/b14-11+/t17-/m0/s1.
What are the key properties of tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 352.40 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 135048704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).