4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane

C21H38B2O4 — CID 176808132

IUPAC4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane
SMILESCC12CC(C(C)(C)B3OC(C)(C)C(C)(C)O3)(C1)C2B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C21H38B2O4/c1-15(2,23-26-18(7,8)19(9,10)27-23)21-12-20(11,13-21)14(21)22-24-16(3,4)17(5,6)25-22/h14H,12-13H2,1-11H3
InChIKeyOKIHAQRPDVABFJ-UHFFFAOYSA-N
MW376.16 g/mol
LogP5.12
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane (PubChem CID 176808132) has the molecular formula C21H38B2O4 and a molecular weight of 376.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane
PubChem CID176808132
Molecular FormulaC21H38B2O4
Molecular Weight376.16 g/mol
Exact Mass376.30
IUPAC Name4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane
SMILESCC12CC(C(C)(C)B3OC(C)(C)C(C)(C)O3)(C1)C2B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C21H38B2O4/c1-15(2,23-26-18(7,8)19(9,10)27-23)21-12-20(11,13-21)14(21)22-24-16(3,4)17(5,6)25-22/h14H,12-13H2,1-11H3
InChIKeyOKIHAQRPDVABFJ-UHFFFAOYSA-N
XLogP5.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.16
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane (CID 176808132) is 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane is CC12CC(C(C)(C)B3OC(C)(C)C(C)(C)O3)(C1)C2B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is OKIHAQRPDVABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38B2O4/c1-15(2,23-26-18(7,8)19(9,10)27-23)21-12-20(11,13-21)14(21)22-24-16(3,4)17(5,6)25-22/h14H,12-13H2,1-11H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 376.16 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[2-[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]propan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 176808132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).