4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane

C11H21BO4 — CID 174086721

IUPAC4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)COB(C2OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C11H21BO4/c1-9(2)7-13-12(16-9)8-14-10(3,4)11(5,6)15-8/h8H,7H2,1-6H3
InChIKeyHSNPSYQDMDPDLA-UHFFFAOYSA-N
MW228.10 g/mol
LogP1.77
Rot. Bonds1

About 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane

4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 174086721) has the molecular formula C11H21BO4 and a molecular weight of 228.10 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane
PubChem CID174086721
Molecular FormulaC11H21BO4
Molecular Weight228.10 g/mol
Exact Mass228.15
IUPAC Name4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)COB(C2OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C11H21BO4/c1-9(2)7-13-12(16-9)8-14-10(3,4)11(5,6)15-8/h8H,7H2,1-6H3
InChIKeyHSNPSYQDMDPDLA-UHFFFAOYSA-N
XLogP1.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 51.77
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-dimethyl-2-propyl-1,3,2-dioxaborolane
CID 123974753
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
4,4-dimethyl-2-(2,3,6-trimethylphenyl)-1,3,2-dioxaborolane
CID 172717739
CID 59376423
CID 59376423
4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)cyclobutyl]-1,3,2-dioxaborolane
CID 135392987
2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11275753
2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane
CID 172816293
4,4,5,5-tetramethyl-1,3-dioxolan-2-ol
CID 58995084
4,4,5,5-tetramethyl-2-[(1R,5S,6R)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane
CID 175901625
2-[4-(bromomethyl)phenyl]-4,4-dimethyl-1,3,2-dioxaborolane
CID 18987820
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-(1-methyl-2-bicyclo[1.1.1]pentanyl)-1,3,2-dioxaborolane
CID 169204381

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane (CID 174086721) is 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane is CC1(C)COB(C2OC(C)(C)C(C)(C)O2)O1.
What is the InChIKey of 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is HSNPSYQDMDPDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO4/c1-9(2)7-13-12(16-9)8-14-10(3,4)11(5,6)15-8/h8H,7H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane?
4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 228.10 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 174086721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).