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

C18H36B2O4 — CID 101048143

IUPAC4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane
SMILESCCCCCC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H36B2O4/c1-10-11-12-13-14(19-21-15(2,3)16(4,5)22-19)20-23-17(6,7)18(8,9)24-20/h14H,10-13H2,1-9H3
InChIKeyIOGRMRGYHUPYAQ-UHFFFAOYSA-N
MW338.11 g/mol
LogP4.66
Rot. Bonds6

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

4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane (PubChem CID 101048143) has the molecular formula C18H36B2O4 and a molecular weight of 338.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane
PubChem CID101048143
Molecular FormulaC18H36B2O4
Molecular Weight338.11 g/mol
Exact Mass338.28
IUPAC Name4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane
SMILESCCCCCC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H36B2O4/c1-10-11-12-13-14(19-21-15(2,3)16(4,5)22-19)20-23-17(6,7)18(8,9)24-20/h14H,10-13H2,1-9H3
InChIKeyIOGRMRGYHUPYAQ-UHFFFAOYSA-N
XLogP4.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane
CID 24859892
4,4,5,5-Tetraethyl-2-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158273426
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
2-[Cyclohexyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712802
4,4,5,5-Tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane
CID 167726217
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
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]-1,3,2-dioxaborolane
CID 154713102
2,2'-(Propane-2,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 57567774
CID 68718447
CID 68718447
1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexane
CID 76001522

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane?
The IUPAC name of 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) is 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane is CCCCCC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane?
The InChIKey is IOGRMRGYHUPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36B2O4/c1-10-11-12-13-14(19-21-15(2,3)16(4,5)22-19)20-23-17(6,7)18(8,9)24-20/h14H,10-13H2,1-9H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane has a molecular weight of 338.11 g/mol, XLogP of 4.66, 6 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-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 101048143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).