3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

C11H23BO3 — CID 154719308

IUPAC3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(C)C(O)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(2)9(13)7-12-14-10(3,4)11(5,6)15-12/h8-9,13H,7H2,1-6H3
InChIKeyNXUNJGJGYZPIDO-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 154719308) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID154719308
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(C)C(O)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(2)9(13)7-12-14-10(3,4)11(5,6)15-12/h8-9,13H,7H2,1-6H3
InChIKeyNXUNJGJGYZPIDO-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol
CID 146165741
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethan-1-ol
CID 134128673
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-ol
CID 165996009
2,2-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 76764609
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 141686665
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 101892485
2-(2,3-Dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane
CID 134889737
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
(1S)-2,2-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154711836
(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154711967
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154712535
4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 154719308) is 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is CC(C)C(O)CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is NXUNJGJGYZPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO3/c1-8(2)9(13)7-12-14-10(3,4)11(5,6)15-12/h8-9,13H,7H2,1-6H3.
What are the key properties of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 214.11 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 154719308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).