tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane

C26H49BO3Si — CID 154712425

IUPACtert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
SMILESC=CC[C@H](CC1(O[Si](C)(C)C(C)(C)C)CC2CC(C1)C2(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C26H49BO3Si/c1-13-14-21(27-28-24(7,8)25(9,10)29-27)18-26(30-31(11,12)22(2,3)4)16-19-15-20(17-26)23(19,5)6/h13,19-21H,1,14-18H2,2-12H3/t19?,20?,21-,26?/m1/s1
InChIKeyBTQGDMJJQXJRJY-OXZUXWFGSA-N
MW448.57 g/mol
LogP7.63
Rot. Bonds7

About tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane

tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane (PubChem CID 154712425) has the molecular formula C26H49BO3Si and a molecular weight of 448.57 g/mol. Its IUPAC name is tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
PubChem CID154712425
Molecular FormulaC26H49BO3Si
Molecular Weight448.57 g/mol
Exact Mass448.35
IUPAC Nametert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
SMILESC=CC[C@H](CC1(O[Si](C)(C)C(C)(C)C)CC2CC(C1)C2(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C26H49BO3Si/c1-13-14-21(27-28-24(7,8)25(9,10)29-27)18-26(30-31(11,12)22(2,3)4)16-19-15-20(17-26)23(19,5)6/h13,19-21H,1,14-18H2,2-12H3/t19?,20?,21-,26?/m1/s1
InChIKeyBTQGDMJJQXJRJY-OXZUXWFGSA-N
XLogP7.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 57.63
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'}

Analyze tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane with MolForge

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Related Compounds

trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane
CID 102275573
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane (CID 154712425) is tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane is C=CC[C@H](CC1(O[Si](C)(C)C(C)(C)C)CC2CC(C1)C2(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
The InChIKey is BTQGDMJJQXJRJY-OXZUXWFGSA-N. The full InChI is InChI=1S/C26H49BO3Si/c1-13-14-21(27-28-24(7,8)25(9,10)29-27)18-26(30-31(11,12)22(2,3)4)16-19-15-20(17-26)23(19,5)6/h13,19-21H,1,14-18H2,2-12H3/t19?,20?,21-,26?/m1/s1.
What are the key properties of tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane has a molecular weight of 448.57 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane is sourced from PubChem (CID 154712425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).