2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane

C10H20B2O4 — CID 22737490

IUPAC2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane
SMILESCC1(C)CCOB(B2OCCC(C)(C)O2)O1
InChIInChI=1S/C10H20B2O4/c1-9(2)5-7-13-11(15-9)12-14-8-6-10(3,4)16-12/h5-8H2,1-4H3
InChIKeyJPIMOMPPMXVJMJ-UHFFFAOYSA-N
MW225.89 g/mol
LogP1.47
Rot. Bonds1

About 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane

2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane (PubChem CID 22737490) has the molecular formula C10H20B2O4 and a molecular weight of 225.89 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane
PubChem CID22737490
Molecular FormulaC10H20B2O4
Molecular Weight225.89 g/mol
Exact Mass226.15
IUPAC Name2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane
SMILESCC1(C)CCOB(B2OCCC(C)(C)O2)O1
InChIInChI=1S/C10H20B2O4/c1-9(2)5-7-13-11(15-9)12-14-8-6-10(3,4)16-12/h5-8H2,1-4H3
InChIKeyJPIMOMPPMXVJMJ-UHFFFAOYSA-N
XLogP1.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.89
LogP ≤ 51.47
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

4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 161385884
4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
CID 144569564
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158790881
4,4-dimethyl-2-propyl-1,3,2-dioxaborolane
CID 123974753
ethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157276718
2-buta-1,3-dien-2-yl-6-methyl-1,3,2-dioxaborocan-6-ol
CID 71485568
CID 59457696
CID 59457696
(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan
CID 144631542
2,2-dimethyloxane;methanamine
CID 144836185
azane;3,3-dimethyldioxane
CID 174358085
4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane
CID 174086721
2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane
CID 11084545

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane (CID 22737490) is 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane is CC1(C)CCOB(B2OCCC(C)(C)O2)O1.
What is the InChIKey of 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane?
The InChIKey is JPIMOMPPMXVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20B2O4/c1-9(2)5-7-13-11(15-9)12-14-8-6-10(3,4)16-12/h5-8H2,1-4H3.
What are the key properties of 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane?
2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane has a molecular weight of 225.89 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1,3,2-dioxaborinan-2-yl)-4,4-dimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 22737490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).