boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol

C9H23BO5 — CID 86676804

IUPACboric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol
SMILESCC(C)OC(C)(C)C(C)(C)O.OB(O)O
InChIInChI=1S/C9H20O2.BH3O3/c1-7(2)11-9(5,6)8(3,4)10;2-1(3)4/h7,10H,1-6H3;2-4H
InChIKeyTWJNTVHJCJAGLJ-UHFFFAOYSA-N
MW222.09 g/mol
LogP-0.09
Rot. Bonds3

About boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol

boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol (PubChem CID 86676804) has the molecular formula C9H23BO5 and a molecular weight of 222.09 g/mol. Its IUPAC name is boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol.

Molecular Properties

Compound Nameboric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol
PubChem CID86676804
Molecular FormulaC9H23BO5
Molecular Weight222.09 g/mol
Exact Mass222.16
IUPAC Nameboric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol
SMILESCC(C)OC(C)(C)C(C)(C)O.OB(O)O
InChIInChI=1S/C9H20O2.BH3O3/c1-7(2)11-9(5,6)8(3,4)10;2-1(3)4/h7,10H,1-6H3;2-4H
InChIKeyTWJNTVHJCJAGLJ-UHFFFAOYSA-N
XLogP-0.09
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze boric acid;2,3-dimethyl-3-propan-2-yloxybutan-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

Frequently Asked Questions

What is the IUPAC name of boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol?
The IUPAC name of boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol (CID 86676804) is boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol.
What is the SMILES notation for boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol?
The canonical SMILES for boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol is CC(C)OC(C)(C)C(C)(C)O.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol?
The InChIKey is TWJNTVHJCJAGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.BH3O3/c1-7(2)11-9(5,6)8(3,4)10;2-1(3)4/h7,10H,1-6H3;2-4H.
What are the key properties of boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol?
boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol has a molecular weight of 222.09 g/mol, XLogP of -0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dimethyl-3-propan-2-yloxybutan-2-ol is sourced from PubChem (CID 86676804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).