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

C24H47BO3Si — CID 154713052

IUPACtert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
SMILESC=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H47BO3Si/c1-11-15-20(25-27-23(5,6)24(7,8)28-25)18-21(19-16-13-12-14-17-19)26-29(9,10)22(2,3)4/h11,19-21H,1,12-18H2,2-10H3/t20-,21+/m1/s1
InChIKeyJZWNJSQQFSBNBV-RTWAWAEBSA-N
MW422.54 g/mol
LogP7.39
Rot. Bonds8

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

tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane (PubChem CID 154713052) has the molecular formula C24H47BO3Si and a molecular weight of 422.54 g/mol. Its IUPAC name is tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
PubChem CID154713052
Molecular FormulaC24H47BO3Si
Molecular Weight422.54 g/mol
Exact Mass422.34
IUPAC Nametert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
SMILESC=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H47BO3Si/c1-11-15-20(25-27-23(5,6)24(7,8)28-25)18-21(19-16-13-12-14-17-19)26-29(9,10)22(2,3)4/h11,19-21H,1,12-18H2,2-10H3/t20-,21+/m1/s1
InChIKeyJZWNJSQQFSBNBV-RTWAWAEBSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 57.39
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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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
[(E)-2-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
CID 101555548
[(Z)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
CID 101850251
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-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
CID 134956995
tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
CID 135048704
[(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
CID 135061707
tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
CID 154712100
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane (CID 154713052) is tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane is C=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?
The InChIKey is JZWNJSQQFSBNBV-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H47BO3Si/c1-11-15-20(25-27-23(5,6)24(7,8)28-25)18-21(19-16-13-12-14-17-19)26-29(9,10)22(2,3)4/h11,19-21H,1,12-18H2,2-10H3/t20-,21+/m1/s1.
What are the key properties of tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?
tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane has a molecular weight of 422.54 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 154713052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).