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

C10H25BO5 — CID 175349270

IUPAC2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid
SMILESCC(C)(O)C(C)(C)O.CC(C)COB(O)O
InChIInChI=1S/C6H14O2.C4H11BO3/c1-5(2,7)6(3,4)8;1-4(2)3-8-5(6)7/h7-8H,1-4H3;4,6-7H,3H2,1-2H3
InChIKeyPSMMWBKXDUPUPB-UHFFFAOYSA-N
MW236.12 g/mol
LogP0.16
Rot. Bonds4

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

2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid (PubChem CID 175349270) has the molecular formula C10H25BO5 and a molecular weight of 236.12 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid
PubChem CID175349270
Molecular FormulaC10H25BO5
Molecular Weight236.12 g/mol
Exact Mass236.18
IUPAC Name2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid
SMILESCC(C)(O)C(C)(C)O.CC(C)COB(O)O
InChIInChI=1S/C6H14O2.C4H11BO3/c1-5(2,7)6(3,4)8;1-4(2)3-8-5(6)7/h7-8H,1-4H3;4,6-7H,3H2,1-2H3
InChIKeyPSMMWBKXDUPUPB-UHFFFAOYSA-N
XLogP0.16
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-2-methylpropoxy)boronic acid
CID 18764610
boric acid;bis(2,3-dimethylbutane-2,3-diol)
CID 87113671
2,3-dimethylbutane-2,3-diol;methylboronic acid
CID 86587082
titanium;tris(2-methylpropoxy)methanol
CID 87320459
3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride
CID 175020502
2,3-dimethylbutane-2,3-diol;hydrobromide
CID 175354079
2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
CID 154669639
CID 154669639
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152
[3-fluoro-4-(2-methylpropoxy)phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 66995283
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
1-ethenoxy-2-methylpropane;methanol
CID 174857186

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid (CID 175349270) is 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid is CC(C)(O)C(C)(C)O.CC(C)COB(O)O.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid?
The InChIKey is PSMMWBKXDUPUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H11BO3/c1-5(2,7)6(3,4)8;1-4(2)3-8-5(6)7/h7-8H,1-4H3;4,6-7H,3H2,1-2H3.
What are the key properties of 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid?
2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid has a molecular weight of 236.12 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid is sourced from PubChem (CID 175349270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).