(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid

C10H23BO3 — CID 56844451

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid
SMILESCC(C)CB(O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C10H23BO3/c1-8(2)7-11(13)14-10(5,6)9(3,4)12/h8,12-13H,7H2,1-6H3
InChIKeyDOBVPDDFIDIYBX-UHFFFAOYSA-N
MW202.10 g/mol
LogP1.69
Rot. Bonds5

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid (PubChem CID 56844451) has the molecular formula C10H23BO3 and a molecular weight of 202.10 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid
PubChem CID56844451
Molecular FormulaC10H23BO3
Molecular Weight202.10 g/mol
Exact Mass202.17
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid
SMILESCC(C)CB(O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C10H23BO3/c1-8(2)7-11(13)14-10(5,6)9(3,4)12/h8,12-13H,7H2,1-6H3
InChIKeyDOBVPDDFIDIYBX-UHFFFAOYSA-N
XLogP1.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid (CID 56844451) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid is CC(C)CB(O)OC(C)(C)C(C)(C)O.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid?
The InChIKey is DOBVPDDFIDIYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO3/c1-8(2)7-11(13)14-10(5,6)9(3,4)12/h8,12-13H,7H2,1-6H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid has a molecular weight of 202.10 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid is sourced from PubChem (CID 56844451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).