CID 174896801

C2H4BO — CID 174896801

IUPAC—
SMILESC=CO.[B]
InChIInChI=1S/C2H4O.B/c1-2-3;/h2-3H,1H2;
InChIKeyZEWDFQWSYZPTGC-UHFFFAOYSA-N
MW54.86 g/mol
LogP0.31
Rot. Bonds

About CID 174896801

CID 174896801 (PubChem CID 174896801) has the molecular formula C2H4BO and a molecular weight of 54.86 g/mol.

Molecular Properties

Compound NameCID 174896801
PubChem CID174896801
Molecular FormulaC2H4BO
Molecular Weight54.86 g/mol
Exact Mass55.04
IUPAC Name—
SMILESC=CO.[B]
InChIInChI=1S/C2H4O.B/c1-2-3;/h2-3H,1H2;
InChIKeyZEWDFQWSYZPTGC-UHFFFAOYSA-N
XLogP0.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.86
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

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ethenol;hexane
CID 22706833
ethenol;trimethoxysilane
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ethenol;heptadecane
CID 158851930
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275
CID 175223737
CID 175223737

Frequently Asked Questions

What is the IUPAC name of CID 174896801?
The IUPAC name of CID 174896801 (CID 174896801) is not available.
What is the SMILES notation for CID 174896801?
The canonical SMILES for CID 174896801 is C=CO.[B].
What is the InChIKey of CID 174896801?
The InChIKey is ZEWDFQWSYZPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.B/c1-2-3;/h2-3H,1H2;.
What are the key properties of CID 174896801?
CID 174896801 has a molecular weight of 54.86 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174896801 is sourced from PubChem (CID 174896801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).