tris[(E)-2-ethoxyethenyl]borane

C12H21BO3 — CID 12937461

IUPACtris[(E)-2-ethoxyethenyl]borane
SMILESCCO/C=C/B(/C=C/OCC)/C=C/OCC
InChIInChI=1S/C12H21BO3/c1-4-14-10-7-13(8-11-15-5-2)9-12-16-6-3/h7-12H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyCTXJYAOVFNVKRV-SRDSWEMOSA-N
MW224.11 g/mol
LogP2.75
Rot. Bonds9

About tris[(E)-2-ethoxyethenyl]borane

tris[(E)-2-ethoxyethenyl]borane (PubChem CID 12937461) has the molecular formula C12H21BO3 and a molecular weight of 224.11 g/mol. Its IUPAC name is tris[(E)-2-ethoxyethenyl]borane.

Molecular Properties

Compound Nametris[(E)-2-ethoxyethenyl]borane
PubChem CID12937461
Molecular FormulaC12H21BO3
Molecular Weight224.11 g/mol
Exact Mass224.16
IUPAC Nametris[(E)-2-ethoxyethenyl]borane
SMILESCCO/C=C/B(/C=C/OCC)/C=C/OCC
InChIInChI=1S/C12H21BO3/c1-4-14-10-7-13(8-11-15-5-2)9-12-16-6-3/h7-12H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyCTXJYAOVFNVKRV-SRDSWEMOSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris[(E)-2-ethoxyethenyl]borane?
The IUPAC name of tris[(E)-2-ethoxyethenyl]borane (CID 12937461) is tris[(E)-2-ethoxyethenyl]borane.
What is the SMILES notation for tris[(E)-2-ethoxyethenyl]borane?
The canonical SMILES for tris[(E)-2-ethoxyethenyl]borane is CCO/C=C/B(/C=C/OCC)/C=C/OCC.
What is the InChIKey of tris[(E)-2-ethoxyethenyl]borane?
The InChIKey is CTXJYAOVFNVKRV-SRDSWEMOSA-N. The full InChI is InChI=1S/C12H21BO3/c1-4-14-10-7-13(8-11-15-5-2)9-12-16-6-3/h7-12H,4-6H2,1-3H3/b10-7+,11-8+,12-9+.
What are the key properties of tris[(E)-2-ethoxyethenyl]borane?
tris[(E)-2-ethoxyethenyl]borane has a molecular weight of 224.11 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(E)-2-ethoxyethenyl]borane is sourced from PubChem (CID 12937461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).