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

C17H32B2O4 — CID 134904258

IUPAC4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCC2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C17H32B2O4/c1-14(2)15(3,4)21-18(20-14)12-10-9-11-13(12)19-22-16(5,6)17(7,8)23-19/h12-13H,9-11H2,1-8H3
InChIKeyHGFZTLYYNOOPNG-UHFFFAOYSA-N
MW322.06 g/mol
LogP4.10
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane (PubChem CID 134904258) has the molecular formula C17H32B2O4 and a molecular weight of 322.06 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane
PubChem CID134904258
Molecular FormulaC17H32B2O4
Molecular Weight322.06 g/mol
Exact Mass322.25
IUPAC Name4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCC2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C17H32B2O4/c1-14(2)15(3,4)21-18(20-14)12-10-9-11-13(12)19-22-16(5,6)17(7,8)23-19/h12-13H,9-11H2,1-8H3
InChIKeyHGFZTLYYNOOPNG-UHFFFAOYSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.06
LogP ≤ 54.10
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

4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
2-[2-Cyclopropyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177799972
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane
CID 154712175
2,2'-(Propane-2,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 57567774
1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexane
CID 76001522
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
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]-1,3,2-dioxaborolane
CID 141527671
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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane (CID 134904258) is 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane is CC1(C)OB(C2CCCC2B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane?
The InChIKey is HGFZTLYYNOOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32B2O4/c1-14(2)15(3,4)21-18(20-14)12-10-9-11-13(12)19-22-16(5,6)17(7,8)23-19/h12-13H,9-11H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane has a molecular weight of 322.06 g/mol, XLogP of 4.10, 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-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134904258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).