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

C17H34B2O4 — CID 135079783

IUPAC4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane
SMILESCC(C)CC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O4/c1-12(2)11-13(18-20-14(3,4)15(5,6)21-18)19-22-16(7,8)17(9,10)23-19/h12-13H,11H2,1-10H3
InChIKeyKHIOMZYWQMBTPA-UHFFFAOYSA-N
MW324.08 g/mol
LogP4.13
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane (PubChem CID 135079783) has the molecular formula C17H34B2O4 and a molecular weight of 324.08 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)butyl]-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)butyl]-1,3,2-dioxaborolane
PubChem CID135079783
Molecular FormulaC17H34B2O4
Molecular Weight324.08 g/mol
Exact Mass324.26
IUPAC Name4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane
SMILESCC(C)CC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O4/c1-12(2)11-13(18-20-14(3,4)15(5,6)21-18)19-22-16(7,8)17(9,10)23-19/h12-13H,11H2,1-10H3
InChIKeyKHIOMZYWQMBTPA-UHFFFAOYSA-N
XLogP4.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 54.13
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

Bis(pinacolato)diborane
CID 2733548
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-Tetramethyl-2-(1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)-1,3,2-dioxaborolane
CID 146049519
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
4,4,5,5-Tetramethyl-2-(1-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)-1,3,2-dioxaborolane
CID 12157934
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-(Fluoro(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168448358
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
(4,4',4',5,5,5',5'-Heptamethyl-[2,2'-bi(1,3,2-dioxaborolan)]-4-yl)methylium
CID 58194676

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)butyl]-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)butyl]-1,3,2-dioxaborolane (CID 135079783) is 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-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)butyl]-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)butyl]-1,3,2-dioxaborolane is CC(C)CC(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-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane?
The InChIKey is KHIOMZYWQMBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34B2O4/c1-12(2)11-13(18-20-14(3,4)15(5,6)21-18)19-22-16(7,8)17(9,10)23-19/h12-13H,11H2,1-10H3.
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)butyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane has a molecular weight of 324.08 g/mol, XLogP of 4.13, 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-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 135079783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).