diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid

C10H24B2O2 — CID 123577523

IUPACdiethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid
SMILESCCB(CC)B(O)OC(C)(C)C(C)C
InChIInChI=1S/C10H24B2O2/c1-7-11(8-2)12(13)14-10(5,6)9(3)4/h9,13H,7-8H2,1-6H3
InChIKeyRPNGSCURTLRMPD-UHFFFAOYSA-N
MW197.92 g/mol
LogP2.53
Rot. Bonds6

About diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid

diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid (PubChem CID 123577523) has the molecular formula C10H24B2O2 and a molecular weight of 197.92 g/mol. Its IUPAC name is diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid.

Molecular Properties

Compound Namediethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid
PubChem CID123577523
Molecular FormulaC10H24B2O2
Molecular Weight197.92 g/mol
Exact Mass198.20
IUPAC Namediethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid
SMILESCCB(CC)B(O)OC(C)(C)C(C)C
InChIInChI=1S/C10H24B2O2/c1-7-11(8-2)12(13)14-10(5,6)9(3)4/h9,13H,7-8H2,1-6H3
InChIKeyRPNGSCURTLRMPD-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.92
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123856828
2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
CID 170705000
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
4-(2,3-dimethylbutan-2-yloxy)-2-methyl-N-propan-2-ylbutan-2-amine
CID 170223007
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid
CID 123979251
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
2-(2-butoxyethoxy)-2,3-dimethylbutane
CID 175016826
4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
CID 170094257
O-(2,3-dimethylbutan-2-yl)hydroxylamine
CID 22013600
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431

Frequently Asked Questions

What is the IUPAC name of diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid?
The IUPAC name of diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid (CID 123577523) is diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid.
What is the SMILES notation for diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid?
The canonical SMILES for diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid is CCB(CC)B(O)OC(C)(C)C(C)C.
What is the InChIKey of diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid?
The InChIKey is RPNGSCURTLRMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24B2O2/c1-7-11(8-2)12(13)14-10(5,6)9(3)4/h9,13H,7-8H2,1-6H3.
What are the key properties of diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid?
diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid has a molecular weight of 197.92 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid is sourced from PubChem (CID 123577523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).