CID 20773391

C12H25B2O4 — CID 20773391

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25B2O4/c1-9(2,15)10(3,4)16-13-14-17-11(5,6)12(7,8)18-14/h15H,1-8H3
InChIKeySJSKHCBOCXHXBC-UHFFFAOYSA-N
MW254.95 g/mol
LogP1.76
Rot. Bonds4

About CID 20773391

CID 20773391 (PubChem CID 20773391) has the molecular formula C12H25B2O4 and a molecular weight of 254.95 g/mol.

Molecular Properties

Compound NameCID 20773391
PubChem CID20773391
Molecular FormulaC12H25B2O4
Molecular Weight254.95 g/mol
Exact Mass255.19
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25B2O4/c1-9(2,15)10(3,4)16-13-14-17-11(5,6)12(7,8)18-14/h15H,1-8H3
InChIKeySJSKHCBOCXHXBC-UHFFFAOYSA-N
XLogP1.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.95
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 20773391?
The IUPAC name of CID 20773391 (CID 20773391) is not available.
What is the SMILES notation for CID 20773391?
The canonical SMILES for CID 20773391 is CC(C)(O)C(C)(C)O[B]B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 20773391?
The InChIKey is SJSKHCBOCXHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25B2O4/c1-9(2,15)10(3,4)16-13-14-17-11(5,6)12(7,8)18-14/h15H,1-8H3.
What are the key properties of CID 20773391?
CID 20773391 has a molecular weight of 254.95 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20773391 is sourced from PubChem (CID 20773391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).