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

C24H47BO3Si — CID 140735201

IUPACtert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane
SMILESC/C(=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H47BO3Si/c1-18(17-19(2)25-27-23(6,7)24(8,9)28-25)21(20-15-13-12-14-16-20)26-29(10,11)22(3,4)5/h17-18,20-21H,12-16H2,1-11H3/b19-17-/t18-,21-/m0/s1
InChIKeyKKRNTDDAGLOVHJ-XUCUDZEWSA-N
MW422.54 g/mol
LogP7.17
Rot. Bonds6

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

tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane (PubChem CID 140735201) has the molecular formula C24H47BO3Si and a molecular weight of 422.54 g/mol. Its IUPAC name is tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane
PubChem CID140735201
Molecular FormulaC24H47BO3Si
Molecular Weight422.54 g/mol
Exact Mass422.34
IUPAC Nametert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane
SMILESC/C(=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H47BO3Si/c1-18(17-19(2)25-27-23(6,7)24(8,9)28-25)21(20-15-13-12-14-16-20)26-29(10,11)22(3,4)5/h17-18,20-21H,12-16H2,1-11H3/b19-17-/t18-,21-/m0/s1
InChIKeyKKRNTDDAGLOVHJ-XUCUDZEWSA-N
XLogP7.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 57.17
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-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228833
tert-butyl-[(Z,1R)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228834
(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
CID 101474218
[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
CID 134944787
(3E,4S,5S)-5-cyclohexyl-3-ethylidene-2,2,4-trimethyloxasilolane
CID 135075647
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
tert-butyl-[2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane
CID 18636592
tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane
CID 18636632
Tert-butyl-[2-cyclohexyl-4-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)butan-2-yl]oxy-dimethylsilane
CID 19836143
Tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane
CID 90460846
Tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-6-en-10-yl]oxysilane
CID 90461141

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane (CID 140735201) is tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane is C/C(=C/[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-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane?
The InChIKey is KKRNTDDAGLOVHJ-XUCUDZEWSA-N. The full InChI is InChI=1S/C24H47BO3Si/c1-18(17-19(2)25-27-23(6,7)24(8,9)28-25)21(20-15-13-12-14-16-20)26-29(10,11)22(3,4)5/h17-18,20-21H,12-16H2,1-11H3/b19-17-/t18-,21-/m0/s1.
What are the key properties of tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane?
tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane has a molecular weight of 422.54 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 140735201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).