4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

C12H24B2O4 — CID 58446372

IUPAC4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
SMILESCC1OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H24B2O4/c1-9-10(2,3)16-13(15-9)8-14-17-11(4,5)12(6,7)18-14/h9H,8H2,1-7H3
InChIKeyXKQPANBOGXYTQZ-UHFFFAOYSA-N
MW253.94 g/mol
LogP2.32
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (PubChem CID 58446372) has the molecular formula C12H24B2O4 and a molecular weight of 253.94 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
PubChem CID58446372
Molecular FormulaC12H24B2O4
Molecular Weight253.94 g/mol
Exact Mass254.19
IUPAC Name4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
SMILESCC1OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H24B2O4/c1-9-10(2,3)16-13(15-9)8-14-17-11(4,5)12(6,7)18-14/h9H,8H2,1-7H3
InChIKeyXKQPANBOGXYTQZ-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.94
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(pinacolato)diborane
CID 2733548
4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane
CID 24859892
4,4,5,5-Tetramethyl-2-(1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)-1,3,2-dioxaborolane
CID 146049519
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
4,4,5,5-Tetramethyl-2-(1-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)-1,3,2-dioxaborolane
CID 12157934
2-[2-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145913531
2-(Fluoro(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168448358
4,4,4',4',5,5,5'-Heptamethyl-2,2'-bi(1,3,2-dioxaborolane)
CID 21036220
2-(1,3,2-Dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53906093
2,2'-(Propane-2,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 57567774
(4,4',4',5,5,5',5'-Heptamethyl-[2,2'-bi(1,3,2-dioxaborolan)]-4-yl)methylium
CID 58194676

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (CID 58446372) is 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is CC1OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The InChIKey is XKQPANBOGXYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4/c1-9-10(2,3)16-13(15-9)8-14-17-11(4,5)12(6,7)18-14/h9H,8H2,1-7H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane has a molecular weight of 253.94 g/mol, XLogP of 2.32, 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-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 58446372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).