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

C11H23BO3 — CID 123813047

IUPAC2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
SMILESCC(CO)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(7-13)9(2)12-14-10(3,4)11(5,6)15-12/h8-9,13H,7H2,1-6H3
InChIKeySPUURMNXWCNVSZ-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.10
Rot. Bonds3

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

2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol (PubChem CID 123813047) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
PubChem CID123813047
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
SMILESCC(CO)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(7-13)9(2)12-14-10(3,4)11(5,6)15-12/h8-9,13H,7H2,1-6H3
InChIKeySPUURMNXWCNVSZ-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'}

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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
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 57368686
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
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
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 154712527
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154712535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol?
The IUPAC name of 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol (CID 123813047) is 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol?
The canonical SMILES for 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol is CC(CO)C(C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol?
The InChIKey is SPUURMNXWCNVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO3/c1-8(7-13)9(2)12-14-10(3,4)11(5,6)15-12/h8-9,13H,7H2,1-6H3.
What are the key properties of 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol?
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-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 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol is sourced from PubChem (CID 123813047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).