CID 57352430

C2H4B2O2 — CID 57352430

IUPAC—
SMILES[B]1CO[B]CO1
InChIInChI=1S/C2H4B2O2/c1-3-6-2-4-5-1/h1-2H2
InChIKeyQIUGRKMZIPHPBC-UHFFFAOYSA-N
MW81.68 g/mol
LogP-0.81
Rot. Bonds

About CID 57352430

CID 57352430 (PubChem CID 57352430) has the molecular formula C2H4B2O2 and a molecular weight of 81.68 g/mol.

Molecular Properties

Compound NameCID 57352430
PubChem CID57352430
Molecular FormulaC2H4B2O2
Molecular Weight81.68 g/mol
Exact Mass82.04
IUPAC Name—
SMILES[B]1CO[B]CO1
InChIInChI=1S/C2H4B2O2/c1-3-6-2-4-5-1/h1-2H2
InChIKeyQIUGRKMZIPHPBC-UHFFFAOYSA-N
XLogP-0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.68
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57352430?
The IUPAC name of CID 57352430 (CID 57352430) is not available.
What is the SMILES notation for CID 57352430?
The canonical SMILES for CID 57352430 is [B]1CO[B]CO1.
What is the InChIKey of CID 57352430?
The InChIKey is QIUGRKMZIPHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4B2O2/c1-3-6-2-4-5-1/h1-2H2.
What are the key properties of CID 57352430?
CID 57352430 has a molecular weight of 81.68 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57352430 is sourced from PubChem (CID 57352430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).