CID 161487486

C2H6BO2 — CID 161487486

IUPAC—
SMILESC=C.O[B]O
InChIInChI=1S/C2H4.BH2O2/c1-2;2-1-3/h1-2H2;2-3H
InChIKeyJLCITDLSKKIVMV-UHFFFAOYSA-N
MW72.88 g/mol
LogP-0.69
Rot. Bonds

About CID 161487486

CID 161487486 (PubChem CID 161487486) has the molecular formula C2H6BO2 and a molecular weight of 72.88 g/mol.

Molecular Properties

Compound NameCID 161487486
PubChem CID161487486
Molecular FormulaC2H6BO2
Molecular Weight72.88 g/mol
Exact Mass73.05
IUPAC Name—
SMILESC=C.O[B]O
InChIInChI=1S/C2H4.BH2O2/c1-2;2-1-3/h1-2H2;2-3H
InChIKeyJLCITDLSKKIVMV-UHFFFAOYSA-N
XLogP-0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.88
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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ethene;hydrogen peroxide
CID 172739502
CID 157364078
CID 157364078
ethene;methanol
CID 159120988
CID 174706603
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CID 159366732
CID 159366732
ethene;methanol;dihydrofluoride
CID 174696452
ethene;silicic acid
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ethene;sulfane
CID 173042161

Frequently Asked Questions

What is the IUPAC name of CID 161487486?
The IUPAC name of CID 161487486 (CID 161487486) is not available.
What is the SMILES notation for CID 161487486?
The canonical SMILES for CID 161487486 is C=C.O[B]O.
What is the InChIKey of CID 161487486?
The InChIKey is JLCITDLSKKIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.BH2O2/c1-2;2-1-3/h1-2H2;2-3H.
What are the key properties of CID 161487486?
CID 161487486 has a molecular weight of 72.88 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161487486 is sourced from PubChem (CID 161487486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).