CID 175718709

C8H12B2O8 — CID 175718709

IUPAC—
SMILESCC(=O)O[B]OC(C)=O.CC(=O)O[B]OC(C)=O
InChIInChI=1S/2C4H6BO4/c2*1-3(6)8-5-9-4(2)7/h2*1-2H3
InChIKeyWGBRQWNGFQXZLK-UHFFFAOYSA-N
MW257.80 g/mol
LogP-0.71
Rot. Bonds4

About CID 175718709

CID 175718709 (PubChem CID 175718709) has the molecular formula C8H12B2O8 and a molecular weight of 257.80 g/mol.

Molecular Properties

Compound NameCID 175718709
PubChem CID175718709
Molecular FormulaC8H12B2O8
Molecular Weight257.80 g/mol
Exact Mass258.07
IUPAC Name—
SMILESCC(=O)O[B]OC(C)=O.CC(=O)O[B]OC(C)=O
InChIInChI=1S/2C4H6BO4/c2*1-3(6)8-5-9-4(2)7/h2*1-2H3
InChIKeyWGBRQWNGFQXZLK-UHFFFAOYSA-N
XLogP-0.71
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175718709?
The IUPAC name of CID 175718709 (CID 175718709) is not available.
What is the SMILES notation for CID 175718709?
The canonical SMILES for CID 175718709 is CC(=O)O[B]OC(C)=O.CC(=O)O[B]OC(C)=O.
What is the InChIKey of CID 175718709?
The InChIKey is WGBRQWNGFQXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6BO4/c2*1-3(6)8-5-9-4(2)7/h2*1-2H3.
What are the key properties of CID 175718709?
CID 175718709 has a molecular weight of 257.80 g/mol, XLogP of -0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175718709 is sourced from PubChem (CID 175718709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).