ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

C13H28B2O4 — CID 123760802

IUPACethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCCOB(OC(C)(C)CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H28B2O4/c1-9-11(3,4)17-14(16-10-2)15-18-12(5,6)13(7,8)19-15/h9-10H2,1-8H3
InChIKeyRDFUKHLDQFKKKA-UHFFFAOYSA-N
MW269.99 g/mol
LogP2.89
Rot. Bonds6

About ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (PubChem CID 123760802) has the molecular formula C13H28B2O4 and a molecular weight of 269.99 g/mol. Its IUPAC name is ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

Molecular Properties

Compound Nameethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
PubChem CID123760802
Molecular FormulaC13H28B2O4
Molecular Weight269.99 g/mol
Exact Mass270.22
IUPAC Nameethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCCOB(OC(C)(C)CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H28B2O4/c1-9-11(3,4)17-14(16-10-2)15-18-12(5,6)13(7,8)19-15/h9-10H2,1-8H3
InChIKeyRDFUKHLDQFKKKA-UHFFFAOYSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The IUPAC name of ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (CID 123760802) is ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.
What is the SMILES notation for ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The canonical SMILES for ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is CCOB(OC(C)(C)CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The InChIKey is RDFUKHLDQFKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28B2O4/c1-9-11(3,4)17-14(16-10-2)15-18-12(5,6)13(7,8)19-15/h9-10H2,1-8H3.
What are the key properties of ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane has a molecular weight of 269.99 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is sourced from PubChem (CID 123760802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).