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

C13H26BO3+ — CID 91564046

IUPAC2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(C)(O)C(C)(C)[CH+]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H26BO3/c1-10(2,11(3,4)15)9-14-16-12(5,6)13(7,8)17-14/h9,15H,1-8H3/q+1
InChIKeyFAPDYCLBVUMAEU-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.62
Rot. Bonds3

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

2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 91564046) has the molecular formula C13H26BO3+ and a molecular weight of 241.16 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID91564046
Molecular FormulaC13H26BO3+
Molecular Weight241.16 g/mol
Exact Mass241.20
IUPAC Name2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(C)(O)C(C)(C)[CH+]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H26BO3/c1-10(2,11(3,4)15)9-14-16-12(5,6)13(7,8)17-14/h9,15H,1-8H3/q+1
InChIKeyFAPDYCLBVUMAEU-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,3-trimethyl-4-(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

2-(3,3-Dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
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
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-ol
CID 101505488
4,4,5,5-tetramethyl-2-[(2S)-2,3,3-trimethylbutyl]-1,3,2-dioxaborolane
CID 125458188
(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
3,3-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154718682
4,4,5,5-Tetramethyl-2-neopentyl-1,3,2-dioxaborolane
CID 155892155
3-Hydroxypropylboronic acid pinacol ester
CID 85849978
2,3,4-Trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol
CID 90995355

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 91564046) is 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is CC(C)(O)C(C)(C)[CH+]B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is FAPDYCLBVUMAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BO3/c1-10(2,11(3,4)15)9-14-16-12(5,6)13(7,8)17-14/h9,15H,1-8H3/q+1.
What are the key properties of 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 241.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 91564046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).