dibutyl-[(2-methylpropan-2-yl)oxy]borane

C12H27BO — CID 15908787

IUPACdibutyl-[(2-methylpropan-2-yl)oxy]borane
SMILESCCCCB(CCCC)OC(C)(C)C
InChIInChI=1S/C12H27BO/c1-6-8-10-13(11-9-7-2)14-12(3,4)5/h6-11H2,1-5H3
InChIKeyQDARRBNESMNRAY-UHFFFAOYSA-N
MW198.16 g/mol
LogP4.39
Rot. Bonds7

About dibutyl-[(2-methylpropan-2-yl)oxy]borane

dibutyl-[(2-methylpropan-2-yl)oxy]borane (PubChem CID 15908787) has the molecular formula C12H27BO and a molecular weight of 198.16 g/mol. Its IUPAC name is dibutyl-[(2-methylpropan-2-yl)oxy]borane.

Molecular Properties

Compound Namedibutyl-[(2-methylpropan-2-yl)oxy]borane
PubChem CID15908787
Molecular FormulaC12H27BO
Molecular Weight198.16 g/mol
Exact Mass198.22
IUPAC Namedibutyl-[(2-methylpropan-2-yl)oxy]borane
SMILESCCCCB(CCCC)OC(C)(C)C
InChIInChI=1S/C12H27BO/c1-6-8-10-13(11-9-7-2)14-12(3,4)5/h6-11H2,1-5H3
InChIKeyQDARRBNESMNRAY-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-[(E)-pent-2-en-3-yl]oxyborane
CID 12737528
2-methoxy-2-methylpropane;pentane
CID 22145886
methoxy(dipentyl)borane
CID 12705652
butyl(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123856828
dibutyl(2,2-dimethylpropyl)borane
CID 134906262
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
dibutyl(trifluoromethyl)borane
CID 19046335
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008
ditert-butyl ethyl borate
CID 174586427
butyl(diethoxy)borane
CID 529038
2,2-dimethylpropane;heptane
CID 144531055

Frequently Asked Questions

What is the IUPAC name of dibutyl-[(2-methylpropan-2-yl)oxy]borane?
The IUPAC name of dibutyl-[(2-methylpropan-2-yl)oxy]borane (CID 15908787) is dibutyl-[(2-methylpropan-2-yl)oxy]borane.
What is the SMILES notation for dibutyl-[(2-methylpropan-2-yl)oxy]borane?
The canonical SMILES for dibutyl-[(2-methylpropan-2-yl)oxy]borane is CCCCB(CCCC)OC(C)(C)C.
What is the InChIKey of dibutyl-[(2-methylpropan-2-yl)oxy]borane?
The InChIKey is QDARRBNESMNRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO/c1-6-8-10-13(11-9-7-2)14-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of dibutyl-[(2-methylpropan-2-yl)oxy]borane?
dibutyl-[(2-methylpropan-2-yl)oxy]borane has a molecular weight of 198.16 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[(2-methylpropan-2-yl)oxy]borane is sourced from PubChem (CID 15908787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).