2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H34B2O5 — CID 154713203

IUPAC2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O5/c1-13(2,3)12(18-21-14(4,5)15(6,7)22-18)20-19-23-16(8,9)17(10,11)24-19/h12H,1-11H3
InChIKeyCYJYAPGBCXFOJR-UHFFFAOYSA-N
MW340.08 g/mol
LogP3.64
Rot. Bonds3

About 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154713203) has the molecular formula C17H34B2O5 and a molecular weight of 340.08 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154713203
Molecular FormulaC17H34B2O5
Molecular Weight340.08 g/mol
Exact Mass340.26
IUPAC Name2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O5/c1-13(2,3)12(18-21-14(4,5)15(6,7)22-18)20-19-23-16(8,9)17(10,11)24-19/h12H,1-11H3
InChIKeyCYJYAPGBCXFOJR-UHFFFAOYSA-N
XLogP3.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.08
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
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-(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
2,2'-(Ethane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 89798430
2,2'-(2-Methylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 101876228
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
CID 135079585
2,2'-(2,2-Dimethylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 154712803
1,3,2-Dioxaborolane, 2,2'-(1,2-ethanediyl)bis[4,4,5,5-tetramethyl-
CID 11471561
4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
CID 13465330
ZINC bis(4,4,5,5-tetramethyl-2-pentyl-1,3,2-dioxaborolane)
CID 86231835
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane
CID 101048143

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154713203) is 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)C(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CYJYAPGBCXFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34B2O5/c1-13(2,3)12(18-21-14(4,5)15(6,7)22-18)20-19-23-16(8,9)17(10,11)24-19/h12H,1-11H3.
What are the key properties of 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 340.08 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154713203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).