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

C16H30B2O4 — CID 134906525

IUPAC4,4,5,5-tetramethyl-2-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C/CB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H30B2O4/c1-13(2)14(3,4)20-17(19-13)11-9-10-12-18-21-15(5,6)16(7,8)22-18/h9-10H,11-12H2,1-8H3/b10-9+
InChIKeyVTLDFKMEQJRWIF-MDZDMXLPSA-N
MW308.04 g/mol
LogP3.73
Rot. Bonds4

About 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

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 (PubChem CID 134906525) has the molecular formula C16H30B2O4 and a molecular weight of 308.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
PubChem CID134906525
Molecular FormulaC16H30B2O4
Molecular Weight308.04 g/mol
Exact Mass308.23
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C/CB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H30B2O4/c1-13(2)14(3,4)20-17(19-13)11-9-10-12-18-21-15(5,6)16(7,8)22-18/h9-10H,11-12H2,1-8H3/b10-9+
InChIKeyVTLDFKMEQJRWIF-MDZDMXLPSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.04
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(E)-2-(But-2-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11805368
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
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 154719529
(Z)-2-(But-2-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11830053
4,4,5,5-tetramethyl-2-[(1E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
CID 101514402
4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 134904577
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
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
4,4,5,5-tetramethyl-2-[(2R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 11347361
Agn-PC-00FD32
CID 11748396
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-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 102068894

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(C/C=C/CB2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 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?
The InChIKey is VTLDFKMEQJRWIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H30B2O4/c1-13(2)14(3,4)20-17(19-13)11-9-10-12-18-21-15(5,6)16(7,8)22-18/h9-10H,11-12H2,1-8H3/b10-9+.
What are the key properties of 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?
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 has a molecular weight of 308.04 g/mol, XLogP of 3.73, 4 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-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134906525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).