2,5-dimethyl-1,3,2-dioxaborinan-5-ol

C5H11BO3 — CID 123612074

IUPAC2,5-dimethyl-1,3,2-dioxaborinan-5-ol
SMILESCB1OCC(C)(O)CO1
InChIInChI=1S/C5H11BO3/c1-5(7)3-8-6(2)9-4-5/h7H,3-4H2,1-2H3
InChIKeyQMYGMCAQBKKRGF-UHFFFAOYSA-N
MW129.95 g/mol
LogP-0.10
Rot. Bonds

About 2,5-dimethyl-1,3,2-dioxaborinan-5-ol

2,5-dimethyl-1,3,2-dioxaborinan-5-ol (PubChem CID 123612074) has the molecular formula C5H11BO3 and a molecular weight of 129.95 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,2-dioxaborinan-5-ol.

Molecular Properties

Compound Name2,5-dimethyl-1,3,2-dioxaborinan-5-ol
PubChem CID123612074
Molecular FormulaC5H11BO3
Molecular Weight129.95 g/mol
Exact Mass130.08
IUPAC Name2,5-dimethyl-1,3,2-dioxaborinan-5-ol
SMILESCB1OCC(C)(O)CO1
InChIInChI=1S/C5H11BO3/c1-5(7)3-8-6(2)9-4-5/h7H,3-4H2,1-2H3
InChIKeyQMYGMCAQBKKRGF-UHFFFAOYSA-N
XLogP-0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.95
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1,3,2-dioxaborinan-5-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 2,5-dimethyl-1,3,2-dioxaborinan-5-ol?
The IUPAC name of 2,5-dimethyl-1,3,2-dioxaborinan-5-ol (CID 123612074) is 2,5-dimethyl-1,3,2-dioxaborinan-5-ol.
What is the SMILES notation for 2,5-dimethyl-1,3,2-dioxaborinan-5-ol?
The canonical SMILES for 2,5-dimethyl-1,3,2-dioxaborinan-5-ol is CB1OCC(C)(O)CO1.
What is the InChIKey of 2,5-dimethyl-1,3,2-dioxaborinan-5-ol?
The InChIKey is QMYGMCAQBKKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO3/c1-5(7)3-8-6(2)9-4-5/h7H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3,2-dioxaborinan-5-ol?
2,5-dimethyl-1,3,2-dioxaborinan-5-ol has a molecular weight of 129.95 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,2-dioxaborinan-5-ol is sourced from PubChem (CID 123612074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).