tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane

C18H35BO3Si — CID 53393368

IUPACtert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane
SMILESCC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1(C)C
InChIInChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-12-10-14(11-13-15)19-21-17(4,5)18(6,7)22-19/h10,15H,11-13H2,1-9H3
InChIKeyYORHLCKMVFBFLD-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.12
Rot. Bonds3

About tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane (PubChem CID 53393368) has the molecular formula C18H35BO3Si and a molecular weight of 338.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane
PubChem CID53393368
Molecular FormulaC18H35BO3Si
Molecular Weight338.37 g/mol
Exact Mass338.24
IUPAC Nametert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane
SMILESCC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1(C)C
InChIInChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-12-10-14(11-13-15)19-21-17(4,5)18(6,7)22-19/h10,15H,11-13H2,1-9H3
InChIKeyYORHLCKMVFBFLD-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane (CID 53393368) is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane is CC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane?
The InChIKey is YORHLCKMVFBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-12-10-14(11-13-15)19-21-17(4,5)18(6,7)22-19/h10,15H,11-13H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane has a molecular weight of 338.37 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 53393368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).