diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane

C9H20B2O3 — CID 574746

IUPACdiethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
SMILESCCB(CC)OCC1COB(CC)O1
InChIInChI=1S/C9H20B2O3/c1-4-10(5-2)12-7-9-8-13-11(6-3)14-9/h9H,4-8H2,1-3H3
InChIKeyBJKWUUGQERJMCC-UHFFFAOYSA-N
MW197.88 g/mol
LogP1.96
Rot. Bonds6

About diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane

diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane (PubChem CID 574746) has the molecular formula C9H20B2O3 and a molecular weight of 197.88 g/mol. Its IUPAC name is diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane.

Molecular Properties

Compound Namediethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
PubChem CID574746
Molecular FormulaC9H20B2O3
Molecular Weight197.88 g/mol
Exact Mass198.16
IUPAC Namediethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
SMILESCCB(CC)OCC1COB(CC)O1
InChIInChI=1S/C9H20B2O3/c1-4-10(5-2)12-7-9-8-13-11(6-3)14-9/h9H,4-8H2,1-3H3
InChIKeyBJKWUUGQERJMCC-UHFFFAOYSA-N
XLogP1.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.88
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
The IUPAC name of diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane (CID 574746) is diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane.
What is the SMILES notation for diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
The canonical SMILES for diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane is CCB(CC)OCC1COB(CC)O1.
What is the InChIKey of diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
The InChIKey is BJKWUUGQERJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20B2O3/c1-4-10(5-2)12-7-9-8-13-11(6-3)14-9/h9H,4-8H2,1-3H3.
What are the key properties of diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane has a molecular weight of 197.88 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2-ethyl-1,3,2-dioxaborolan-4-yl)methoxy]borane is sourced from PubChem (CID 574746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).