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

C15H30B2O4 — CID 123285921

IUPAC2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H30B2O4/c1-11(2,3)15(10)14(8,9)20-17(21-15)16-18-12(4,5)13(6,7)19-16/h1-10H3
InChIKeyNFEHFVFTFLULGC-UHFFFAOYSA-N
MW296.03 g/mol
LogP3.28
Rot. Bonds1

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

2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123285921) has the molecular formula C15H30B2O4 and a molecular weight of 296.03 g/mol. Its IUPAC name is 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123285921
Molecular FormulaC15H30B2O4
Molecular Weight296.03 g/mol
Exact Mass296.23
IUPAC Name2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H30B2O4/c1-11(2,3)15(10)14(8,9)20-17(21-15)16-18-12(4,5)13(6,7)19-16/h1-10H3
InChIKeyNFEHFVFTFLULGC-UHFFFAOYSA-N
XLogP3.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 53.28
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

4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 161385884
CID 59457696
CID 59457696
4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
CID 144569564
4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethyl-5-[(2-methylcyclopropyl)methyl]-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
CID 149289189
2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144892826
2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane
CID 159778218
2-[1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154711809
CID 155885641
CID 155885641
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
CID 132579513
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158790881
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123285921) is 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NFEHFVFTFLULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30B2O4/c1-11(2,3)15(10)14(8,9)20-17(21-15)16-18-12(4,5)13(6,7)19-16/h1-10H3.
What are the key properties of 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.03 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123285921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).