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

C10H21BO3 — CID 154713275

IUPAC2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
SMILESCC(C)C(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11/h7-8,12H,1-6H3
InChIKeyOOHKTKSVGAKSEO-UHFFFAOYSA-N
MW200.09 g/mol
LogP1.63
Rot. Bonds2

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

2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol (PubChem CID 154713275) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
PubChem CID154713275
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Name2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
SMILESCC(C)C(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11/h7-8,12H,1-6H3
InChIKeyOOHKTKSVGAKSEO-UHFFFAOYSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-ol
CID 101505488
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 101892485
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 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol (CID 154713275) is 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol is CC(C)C(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?
The InChIKey is OOHKTKSVGAKSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO3/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11/h7-8,12H,1-6H3.
What are the key properties of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?
2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol has a molecular weight of 200.09 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol is sourced from PubChem (CID 154713275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).