[4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium

C12H26B2O5 — CID 138976910

IUPAC[4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium
SMILESCC1(C)OB([B-]2([OH2+])OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H26B2O5/c1-9(2)10(3,4)17-13(16-9)14(15)18-11(5,6)12(7,8)19-14/h15H2,1-8H3
InChIKeyPXSCGRIFFABKGC-UHFFFAOYSA-N
MW271.96 g/mol
LogP1.42
Rot. Bonds1

About [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium

[4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium (PubChem CID 138976910) has the molecular formula C12H26B2O5 and a molecular weight of 271.96 g/mol. Its IUPAC name is [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium.

Molecular Properties

Compound Name[4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium
PubChem CID138976910
Molecular FormulaC12H26B2O5
Molecular Weight271.96 g/mol
Exact Mass272.20
IUPAC Name[4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium
SMILESCC1(C)OB([B-]2([OH2+])OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H26B2O5/c1-9(2)10(3,4)17-13(16-9)14(15)18-11(5,6)12(7,8)19-14/h15H2,1-8H3
InChIKeyPXSCGRIFFABKGC-UHFFFAOYSA-N
XLogP1.42
TPSA59.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium 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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium?
The IUPAC name of [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium (CID 138976910) is [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium.
What is the SMILES notation for [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium?
The canonical SMILES for [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium is CC1(C)OB([B-]2([OH2+])OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium?
The InChIKey is PXSCGRIFFABKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26B2O5/c1-9(2)10(3,4)17-13(16-9)14(15)18-11(5,6)12(7,8)19-14/h15H2,1-8H3.
What are the key properties of [4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium?
[4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium has a molecular weight of 271.96 g/mol, XLogP of 1.42, 1 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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopent-2-yl]oxidanium is sourced from PubChem (CID 138976910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).