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

C17H32B2O4 — CID 11220961

IUPAC4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane
SMILESCC(C)=C(CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H32B2O4/c1-12(2)13(19-22-16(7,8)17(9,10)23-19)11-18-20-14(3,4)15(5,6)21-18/h11H2,1-10H3
InChIKeyJTKPRRJWXUBWNA-UHFFFAOYSA-N
MW322.06 g/mol
LogP4.05
Rot. Bonds3

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

4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane (PubChem CID 11220961) has the molecular formula C17H32B2O4 and a molecular weight of 322.06 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane
PubChem CID11220961
Molecular FormulaC17H32B2O4
Molecular Weight322.06 g/mol
Exact Mass322.25
IUPAC Name4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane
SMILESCC(C)=C(CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H32B2O4/c1-12(2)13(19-22-16(7,8)17(9,10)23-19)11-18-20-14(3,4)15(5,6)21-18/h11H2,1-10H3
InChIKeyJTKPRRJWXUBWNA-UHFFFAOYSA-N
XLogP4.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.06
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-Tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dien-2-yl)-1,3,2-dioxaborolane
CID 11438182
cis-4,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-octene
CID 15649673
2,2'-(2-Methylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 101876228
2,2'-(2,2-Dimethylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 154712803
4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
CID 10968830
2-[(E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11450504
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
4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
CID 101353112
4,4,5,5-Tetramethyl-2-[3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentan-3-yl]-1,3,2-dioxaborolane
CID 101505485
4,4,5,5-Tetramethyl-2-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 134903881
4,4,5,5-tetramethyl-2-[(Z)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
CID 134904209
4,4,5,5-tetramethyl-2-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
CID 134906525

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane (CID 11220961) is 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane is CC(C)=C(CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane?
The InChIKey is JTKPRRJWXUBWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32B2O4/c1-12(2)13(19-22-16(7,8)17(9,10)23-19)11-18-20-14(3,4)15(5,6)21-18/h11H2,1-10H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane has a molecular weight of 322.06 g/mol, XLogP of 4.05, 3 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-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 11220961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).