bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate

C15H27BO6 — CID 5326257

IUPACbis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OB(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C15H27BO6/c1-13(2,3)10(17)20-16(21-11(18)14(4,5)6)22-12(19)15(7,8)9/h1-9H3
InChIKeyVIUYHAGZXZSJEZ-UHFFFAOYSA-N
MW314.19 g/mol
LogP2.74
Rot. Bonds3

About bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate

bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate (PubChem CID 5326257) has the molecular formula C15H27BO6 and a molecular weight of 314.19 g/mol. Its IUPAC name is bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namebis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate
PubChem CID5326257
Molecular FormulaC15H27BO6
Molecular Weight314.19 g/mol
Exact Mass314.19
IUPAC Namebis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OB(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C15H27BO6/c1-13(2,3)10(17)20-16(21-11(18)14(4,5)6)22-12(19)15(7,8)9/h1-9H3
InChIKeyVIUYHAGZXZSJEZ-UHFFFAOYSA-N
XLogP2.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate?
The IUPAC name of bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate (CID 5326257) is bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate.
What is the SMILES notation for bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate?
The canonical SMILES for bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OB(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate?
The InChIKey is VIUYHAGZXZSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO6/c1-13(2,3)10(17)20-16(21-11(18)14(4,5)6)22-12(19)15(7,8)9/h1-9H3.
What are the key properties of bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate?
bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate has a molecular weight of 314.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropanoyloxy)boranyl 2,2-dimethylpropanoate is sourced from PubChem (CID 5326257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).