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

C17H30B2O4 — CID 135393196

IUPAC4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)OC1(C)C
InChIInChI=1S/C17H30B2O4/c1-12(2)13(3,4)21-18(20-12)16-9-17(10-16,11-16)19-22-14(5,6)15(7,8)23-19/h9-11H2,1-8H3
InChIKeyBIKNZVZSKFNDKH-UHFFFAOYSA-N
MW320.05 g/mol
LogP3.85
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (PubChem CID 135393196) has the molecular formula C17H30B2O4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
PubChem CID135393196
Molecular FormulaC17H30B2O4
Molecular Weight320.05 g/mol
Exact Mass320.23
IUPAC Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)OC1(C)C
InChIInChI=1S/C17H30B2O4/c1-12(2)13(3,4)21-18(20-12)16-9-17(10-16,11-16)19-22-14(5,6)15(7,8)23-19/h9-11H2,1-8H3
InChIKeyBIKNZVZSKFNDKH-UHFFFAOYSA-N
XLogP3.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 53.85
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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (CID 135393196) is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is CC1(C)OB(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
The InChIKey is BIKNZVZSKFNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30B2O4/c1-12(2)13(3,4)21-18(20-12)16-9-17(10-16,11-16)19-22-14(5,6)15(7,8)23-19/h9-11H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane has a molecular weight of 320.05 g/mol, XLogP of 3.85, 2 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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 135393196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).