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

C17H33BO3Si — CID 174030523

IUPACtert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane
SMILESCC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)C2)OC1(C)C
InChIInChI=1S/C17H33BO3Si/c1-15(2,3)22(8,9)19-14-11-10-13(12-14)18-20-16(4,5)17(6,7)21-18/h10,14H,11-12H2,1-9H3
InChIKeyANASNXXMNFBYES-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.73
Rot. Bonds3

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

tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane (PubChem CID 174030523) has the molecular formula C17H33BO3Si and a molecular weight of 324.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane
PubChem CID174030523
Molecular FormulaC17H33BO3Si
Molecular Weight324.35 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane
SMILESCC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)C2)OC1(C)C
InChIInChI=1S/C17H33BO3Si/c1-15(2,3)22(8,9)19-14-11-10-13(12-14)18-20-16(4,5)17(6,7)21-18/h10,14H,11-12H2,1-9H3
InChIKeyANASNXXMNFBYES-UHFFFAOYSA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.73
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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane (CID 174030523) is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane is CC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)C2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane?
The InChIKey is ANASNXXMNFBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO3Si/c1-15(2,3)22(8,9)19-14-11-10-13(12-14)18-20-16(4,5)17(6,7)21-18/h10,14H,11-12H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane has a molecular weight of 324.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane is sourced from PubChem (CID 174030523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).