[(Z)-1-ethoxyprop-1-enoxy]borane

C5H11BO2 — CID 134903703

IUPAC[(Z)-1-ethoxyprop-1-enoxy]borane
SMILESBO/C(=C/C)OCC
InChIInChI=1S/C5H11BO2/c1-3-5(8-6)7-4-2/h3H,4,6H2,1-2H3/b5-3+
InChIKeyBHRDUVZRIFFJEN-HWKANZROSA-N
MW113.95 g/mol
LogP0.45
Rot. Bonds3

About [(Z)-1-ethoxyprop-1-enoxy]borane

[(Z)-1-ethoxyprop-1-enoxy]borane (PubChem CID 134903703) has the molecular formula C5H11BO2 and a molecular weight of 113.95 g/mol. Its IUPAC name is [(Z)-1-ethoxyprop-1-enoxy]borane.

Molecular Properties

Compound Name[(Z)-1-ethoxyprop-1-enoxy]borane
PubChem CID134903703
Molecular FormulaC5H11BO2
Molecular Weight113.95 g/mol
Exact Mass114.09
IUPAC Name[(Z)-1-ethoxyprop-1-enoxy]borane
SMILESBO/C(=C/C)OCC
InChIInChI=1S/C5H11BO2/c1-3-5(8-6)7-4-2/h3H,4,6H2,1-2H3/b5-3+
InChIKeyBHRDUVZRIFFJEN-HWKANZROSA-N
XLogP0.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.95
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-1-ethoxyprop-1-enoxy]borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-ethoxyprop-1-enoxy]borane?
The IUPAC name of [(Z)-1-ethoxyprop-1-enoxy]borane (CID 134903703) is [(Z)-1-ethoxyprop-1-enoxy]borane.
What is the SMILES notation for [(Z)-1-ethoxyprop-1-enoxy]borane?
The canonical SMILES for [(Z)-1-ethoxyprop-1-enoxy]borane is BO/C(=C/C)OCC.
What is the InChIKey of [(Z)-1-ethoxyprop-1-enoxy]borane?
The InChIKey is BHRDUVZRIFFJEN-HWKANZROSA-N. The full InChI is InChI=1S/C5H11BO2/c1-3-5(8-6)7-4-2/h3H,4,6H2,1-2H3/b5-3+.
What are the key properties of [(Z)-1-ethoxyprop-1-enoxy]borane?
[(Z)-1-ethoxyprop-1-enoxy]borane has a molecular weight of 113.95 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-ethoxyprop-1-enoxy]borane is sourced from PubChem (CID 134903703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).