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

C11H23BO3 — CID 155738263

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
SMILESCC1(C)OB(CCCCCO)OC1(C)C
InChIInChI=1S/C11H23BO3/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h13H,5-9H2,1-4H3
InChIKeyXRUXSSJFIJIMLP-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.24
Rot. Bonds5

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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol (PubChem CID 155738263) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
PubChem CID155738263
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
SMILESCC1(C)OB(CCCCCO)OC1(C)C
InChIInChI=1S/C11H23BO3/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h13H,5-9H2,1-4H3
InChIKeyXRUXSSJFIJIMLP-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol (CID 155738263) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol is CC1(C)OB(CCCCCO)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol?
The InChIKey is XRUXSSJFIJIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO3/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h13H,5-9H2,1-4H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol has a molecular weight of 214.11 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol is sourced from PubChem (CID 155738263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).