dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane

C19H29BO2Si — CID 154717065

IUPACdimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane
SMILESCC1(C)OB(C23CC([Si](C)(C)c4ccccc4)(C2)C3)OC1(C)C
InChIInChI=1S/C19H29BO2Si/c1-16(2)17(3,4)22-20(21-16)18-12-19(13-18,14-18)23(5,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKeyDTVZEZRKQKHOJS-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.37
Rot. Bonds3

About dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane

dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane (PubChem CID 154717065) has the molecular formula C19H29BO2Si and a molecular weight of 328.34 g/mol. Its IUPAC name is dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane
PubChem CID154717065
Molecular FormulaC19H29BO2Si
Molecular Weight328.34 g/mol
Exact Mass328.20
IUPAC Namedimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane
SMILESCC1(C)OB(C23CC([Si](C)(C)c4ccccc4)(C2)C3)OC1(C)C
InChIInChI=1S/C19H29BO2Si/c1-16(2)17(3,4)22-20(21-16)18-12-19(13-18,14-18)23(5,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKeyDTVZEZRKQKHOJS-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane?
The IUPAC name of dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane (CID 154717065) is dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane.
What is the SMILES notation for dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane?
The canonical SMILES for dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane is CC1(C)OB(C23CC([Si](C)(C)c4ccccc4)(C2)C3)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane?
The InChIKey is DTVZEZRKQKHOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BO2Si/c1-16(2)17(3,4)22-20(21-16)18-12-19(13-18,14-18)23(5,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3.
What are the key properties of dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane?
dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane has a molecular weight of 328.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane is sourced from PubChem (CID 154717065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).