4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C10H20B2O4 — CID 18673250

IUPAC4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1OB(B2OC(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C10H20B2O4/c1-7-9(3,4)15-11(13-7)12-14-8(2)10(5,6)16-12/h7-8H,1-6H3
InChIKeyBUYDMXHVALZHGU-UHFFFAOYSA-N
MW225.89 g/mol
LogP1.47
Rot. Bonds1

About 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 18673250) has the molecular formula C10H20B2O4 and a molecular weight of 225.89 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID18673250
Molecular FormulaC10H20B2O4
Molecular Weight225.89 g/mol
Exact Mass226.15
IUPAC Name4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1OB(B2OC(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C10H20B2O4/c1-7-9(3,4)15-11(13-7)12-14-8(2)10(5,6)16-12/h7-8H,1-6H3
InChIKeyBUYDMXHVALZHGU-UHFFFAOYSA-N
XLogP1.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.89
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 18673250) is 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1OB(B2OC(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is BUYDMXHVALZHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20B2O4/c1-7-9(3,4)15-11(13-7)12-14-8(2)10(5,6)16-12/h7-8H,1-6H3.
What are the key properties of 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 225.89 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 18673250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).