CID 142313282

C2H5BO2 — CID 142313282

IUPAC—
SMILES[B]C(C)(O)O
InChIInChI=1S/C2H5BO2/c1-2(3,4)5/h4-5H,1H3
InChIKeyIIKOCFOUBXZATQ-UHFFFAOYSA-N
MW71.87 g/mol
LogP-1.19
Rot. Bonds

About CID 142313282

CID 142313282 (PubChem CID 142313282) has the molecular formula C2H5BO2 and a molecular weight of 71.87 g/mol.

Molecular Properties

Compound NameCID 142313282
PubChem CID142313282
Molecular FormulaC2H5BO2
Molecular Weight71.87 g/mol
Exact Mass72.04
IUPAC Name—
SMILES[B]C(C)(O)O
InChIInChI=1S/C2H5BO2/c1-2(3,4)5/h4-5H,1H3
InChIKeyIIKOCFOUBXZATQ-UHFFFAOYSA-N
XLogP-1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.87
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 142313282?
The IUPAC name of CID 142313282 (CID 142313282) is not available.
What is the SMILES notation for CID 142313282?
The canonical SMILES for CID 142313282 is [B]C(C)(O)O.
What is the InChIKey of CID 142313282?
The InChIKey is IIKOCFOUBXZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BO2/c1-2(3,4)5/h4-5H,1H3.
What are the key properties of CID 142313282?
CID 142313282 has a molecular weight of 71.87 g/mol, XLogP of -1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142313282 is sourced from PubChem (CID 142313282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).