2,3-dimethylbutane-2,3-diol;ethenylboronic acid

C8H19BO4 — CID 53442856

IUPAC2,3-dimethylbutane-2,3-diol;ethenylboronic acid
SMILESC=CB(O)O.CC(C)(O)C(C)(C)O
InChIInChI=1S/C6H14O2.C2H5BO2/c1-5(2,7)6(3,4)8;1-2-3(4)5/h7-8H,1-4H3;2,4-5H,1H2
InChIKeyOBHCCORLMBZISY-UHFFFAOYSA-N
MW190.05 g/mol
LogP-0.29
Rot. Bonds2

About 2,3-dimethylbutane-2,3-diol;ethenylboronic acid

2,3-dimethylbutane-2,3-diol;ethenylboronic acid (PubChem CID 53442856) has the molecular formula C8H19BO4 and a molecular weight of 190.05 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;ethenylboronic acid.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;ethenylboronic acid
PubChem CID53442856
Molecular FormulaC8H19BO4
Molecular Weight190.05 g/mol
Exact Mass190.14
IUPAC Name2,3-dimethylbutane-2,3-diol;ethenylboronic acid
SMILESC=CB(O)O.CC(C)(O)C(C)(C)O
InChIInChI=1S/C6H14O2.C2H5BO2/c1-5(2,7)6(3,4)8;1-2-3(4)5/h7-8H,1-4H3;2,4-5H,1H2
InChIKeyOBHCCORLMBZISY-UHFFFAOYSA-N
XLogP-0.29
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2,3-dimethylbutane-2,3-diol;ethenylboronic acid?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;ethenylboronic acid (CID 53442856) is 2,3-dimethylbutane-2,3-diol;ethenylboronic acid.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;ethenylboronic acid?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;ethenylboronic acid is C=CB(O)O.CC(C)(O)C(C)(C)O.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;ethenylboronic acid?
The InChIKey is OBHCCORLMBZISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C2H5BO2/c1-5(2,7)6(3,4)8;1-2-3(4)5/h7-8H,1-4H3;2,4-5H,1H2.
What are the key properties of 2,3-dimethylbutane-2,3-diol;ethenylboronic acid?
2,3-dimethylbutane-2,3-diol;ethenylboronic acid has a molecular weight of 190.05 g/mol, XLogP of -0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;ethenylboronic acid is sourced from PubChem (CID 53442856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).