di(butan-2-yloxy)borinic acid

C8H19BO3 — CID 23050927

IUPACdi(butan-2-yloxy)borinic acid
SMILESCCC(C)OB(O)OC(C)CC
InChIInChI=1S/C8H19BO3/c1-5-7(3)11-9(10)12-8(4)6-2/h7-8,10H,5-6H2,1-4H3
InChIKeyCBDHDQAONYJJIJ-UHFFFAOYSA-N
MW174.05 g/mol
LogP1.59
Rot. Bonds6

About di(butan-2-yloxy)borinic acid

di(butan-2-yloxy)borinic acid (PubChem CID 23050927) has the molecular formula C8H19BO3 and a molecular weight of 174.05 g/mol. Its IUPAC name is di(butan-2-yloxy)borinic acid.

Molecular Properties

Compound Namedi(butan-2-yloxy)borinic acid
PubChem CID23050927
Molecular FormulaC8H19BO3
Molecular Weight174.05 g/mol
Exact Mass174.14
IUPAC Namedi(butan-2-yloxy)borinic acid
SMILESCCC(C)OB(O)OC(C)CC
InChIInChI=1S/C8H19BO3/c1-5-7(3)11-9(10)12-8(4)6-2/h7-8,10H,5-6H2,1-4H3
InChIKeyCBDHDQAONYJJIJ-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.05
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl dimethyl borate
CID 57057381
di(butan-2-yloxy)-ethenylborane
CID 151383682
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
2-butan-2-yloxybutane;ethanol
CID 88614162
(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane;methane
CID 162220733
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yloxy(trifluoro)silane
CID 139698308
tributan-2-yl phosphate
CID 11482502
CID 173228118
CID 173228118
methane;2-methoxybutane
CID 162124465

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)borinic acid?
The IUPAC name of di(butan-2-yloxy)borinic acid (CID 23050927) is di(butan-2-yloxy)borinic acid.
What is the SMILES notation for di(butan-2-yloxy)borinic acid?
The canonical SMILES for di(butan-2-yloxy)borinic acid is CCC(C)OB(O)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)borinic acid?
The InChIKey is CBDHDQAONYJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO3/c1-5-7(3)11-9(10)12-8(4)6-2/h7-8,10H,5-6H2,1-4H3.
What are the key properties of di(butan-2-yloxy)borinic acid?
di(butan-2-yloxy)borinic acid has a molecular weight of 174.05 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)borinic acid is sourced from PubChem (CID 23050927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).