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

C19H37BO3Si — CID 101201291

IUPACtert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane
SMILESCC1OB(/C=C/C(O[Si](C)(C)C(C)(C)C)C2CCCCC2)OC1C
InChIInChI=1S/C19H37BO3Si/c1-15-16(2)22-20(21-15)14-13-18(17-11-9-8-10-12-17)23-24(6,7)19(3,4)5/h13-18H,8-12H2,1-7H3/b14-13+
InChIKeyXKAMEHKEPHZRFL-BUHFOSPRSA-N
MW352.40 g/mol
LogP5.36
Rot. Bonds5

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

tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane (PubChem CID 101201291) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane
PubChem CID101201291
Molecular FormulaC19H37BO3Si
Molecular Weight352.40 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane
SMILESCC1OB(/C=C/C(O[Si](C)(C)C(C)(C)C)C2CCCCC2)OC1C
InChIInChI=1S/C19H37BO3Si/c1-15-16(2)22-20(21-15)14-13-18(17-11-9-8-10-12-17)23-24(6,7)19(3,4)5/h13-18H,8-12H2,1-7H3/b14-13+
InChIKeyXKAMEHKEPHZRFL-BUHFOSPRSA-N
XLogP5.36
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 ≤ 55.36
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-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228833
tert-butyl-[(Z,1R)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228834
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
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-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
CID 135048704
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-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-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane
CID 14127261

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane (CID 101201291) is tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane is CC1OB(/C=C/C(O[Si](C)(C)C(C)(C)C)C2CCCCC2)OC1C.
What is the InChIKey of tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane?
The InChIKey is XKAMEHKEPHZRFL-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-15-16(2)22-20(21-15)14-13-18(17-11-9-8-10-12-17)23-24(6,7)19(3,4)5/h13-18H,8-12H2,1-7H3/b14-13+.
What are the key properties of tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane has a molecular weight of 352.40 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-cyclohexyl-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 101201291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).