2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane

C11H24B2O4 — CID 123501408

IUPAC2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane
SMILESCOB(OC(C)(C)C(C)C)B1OCC(C)(C)O1
InChIInChI=1S/C11H24B2O4/c1-9(2)11(5,6)17-12(14-7)13-15-8-10(3,4)16-13/h9H,8H2,1-7H3
InChIKeyQNXICPYDWFYPLX-UHFFFAOYSA-N
MW241.93 g/mol
LogP1.96
Rot. Bonds5

About 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane

2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane (PubChem CID 123501408) has the molecular formula C11H24B2O4 and a molecular weight of 241.93 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane
PubChem CID123501408
Molecular FormulaC11H24B2O4
Molecular Weight241.93 g/mol
Exact Mass242.19
IUPAC Name2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane
SMILESCOB(OC(C)(C)C(C)C)B1OCC(C)(C)O1
InChIInChI=1S/C11H24B2O4/c1-9(2)11(5,6)17-12(14-7)13-15-8-10(3,4)16-13/h9H,8H2,1-7H3
InChIKeyQNXICPYDWFYPLX-UHFFFAOYSA-N
XLogP1.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 51.96
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

2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727575
4,4,4',4',5,5,5'-Heptamethyl-2,2'-bi(1,3,2-dioxaborolane)
CID 21036220
2-(1,3,2-Dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53906093
2-Methoxy-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
CID 122232341
2-(2,3-Dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane
CID 134889737
CID 134978779
CID 134978779
2-(2,3-Dimethylbutan-2-yloxy)-1,3,2-dioxaborolane
CID 135049207
4,4,5,5-Tetramethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolane
CID 15499552
4,4,4',4',5,5'-Hexamethyl-2,2'-bi-1,3,2-dioxaborolane
CID 18673250
4,4,5,5-Tetramethyl-2-propoxy-1,3,2-dioxaborolane
CID 57983867
CID 66635800
CID 66635800
2,3-Dimethylbutan-2-yloxy-methoxy-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)borane
CID 68213022

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane?
The IUPAC name of 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane (CID 123501408) is 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane.
What is the SMILES notation for 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane?
The canonical SMILES for 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane is COB(OC(C)(C)C(C)C)B1OCC(C)(C)O1.
What is the InChIKey of 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane?
The InChIKey is QNXICPYDWFYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24B2O4/c1-9(2)11(5,6)17-12(14-7)13-15-8-10(3,4)16-13/h9H,8H2,1-7H3.
What are the key properties of 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane?
2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane has a molecular weight of 241.93 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane is sourced from PubChem (CID 123501408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).