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

C10H23BO2 — CID 123856828

IUPACbutyl(2,3-dimethylbutan-2-yloxy)borinic acid
SMILESCCCCB(O)OC(C)(C)C(C)C
InChIInChI=1S/C10H23BO2/c1-6-7-8-11(12)13-10(4,5)9(2)3/h9,12H,6-8H2,1-5H3
InChIKeyKQQHDPHZXGEEDA-UHFFFAOYSA-N
MW186.10 g/mol
LogP2.72
Rot. Bonds6

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

butyl(2,3-dimethylbutan-2-yloxy)borinic acid (PubChem CID 123856828) has the molecular formula C10H23BO2 and a molecular weight of 186.10 g/mol. Its IUPAC name is butyl(2,3-dimethylbutan-2-yloxy)borinic acid.

Molecular Properties

Compound Namebutyl(2,3-dimethylbutan-2-yloxy)borinic acid
PubChem CID123856828
Molecular FormulaC10H23BO2
Molecular Weight186.10 g/mol
Exact Mass186.18
IUPAC Namebutyl(2,3-dimethylbutan-2-yloxy)borinic acid
SMILESCCCCB(O)OC(C)(C)C(C)C
InChIInChI=1S/C10H23BO2/c1-6-7-8-11(12)13-10(4,5)9(2)3/h9,12H,6-8H2,1-5H3
InChIKeyKQQHDPHZXGEEDA-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 52.72
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

2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid
CID 123979251
diethylboranyl(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123577523
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
dibutyl-[(2-methylpropan-2-yl)oxy]borane
CID 15908787
butyl-[1-[butyl(hydroxy)boranyl]oxy-3-hydroxypropyl]peroxyborinic acid
CID 87917537
aminooxy(pentyl)borinic acid
CID 88633345
2-(2-butoxyethoxy)-2,3-dimethylbutane
CID 175016826
hexan-2-yloxyboronic acid
CID 159771152
2,3-dimethylbutan-2-yl (Z)-octadec-9-enoate
CID 87881240
ethane;hexane;2,3,3-trimethylpentane
CID 143714855
butyl-di(propan-2-yloxy)borane
CID 3775344
CID 158911763
CID 158911763

Frequently Asked Questions

What is the IUPAC name of butyl(2,3-dimethylbutan-2-yloxy)borinic acid?
The IUPAC name of butyl(2,3-dimethylbutan-2-yloxy)borinic acid (CID 123856828) is butyl(2,3-dimethylbutan-2-yloxy)borinic acid.
What is the SMILES notation for butyl(2,3-dimethylbutan-2-yloxy)borinic acid?
The canonical SMILES for butyl(2,3-dimethylbutan-2-yloxy)borinic acid is CCCCB(O)OC(C)(C)C(C)C.
What is the InChIKey of butyl(2,3-dimethylbutan-2-yloxy)borinic acid?
The InChIKey is KQQHDPHZXGEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO2/c1-6-7-8-11(12)13-10(4,5)9(2)3/h9,12H,6-8H2,1-5H3.
What are the key properties of butyl(2,3-dimethylbutan-2-yloxy)borinic acid?
butyl(2,3-dimethylbutan-2-yloxy)borinic acid has a molecular weight of 186.10 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2,3-dimethylbutan-2-yloxy)borinic acid is sourced from PubChem (CID 123856828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).