CID 23516197

C7H11BO4Y — CID 23516197

IUPAC—
SMILES[B]C1OC2(COC)COC1C2O.[Y]
InChIInChI=1S/C7H11BO4.Y/c1-10-2-7-3-11-4(5(7)9)6(8)12-7;/h4-6,9H,2-3H2,1H3;
InChIKeyZEHGOCYCPLNTHL-UHFFFAOYSA-N
MW258.88 g/mol
LogP-1.35
Rot. Bonds2

About CID 23516197

CID 23516197 (PubChem CID 23516197) has the molecular formula C7H11BO4Y and a molecular weight of 258.88 g/mol.

Molecular Properties

Compound NameCID 23516197
PubChem CID23516197
Molecular FormulaC7H11BO4Y
Molecular Weight258.88 g/mol
Exact Mass258.98
IUPAC Name—
SMILES[B]C1OC2(COC)COC1C2O.[Y]
InChIInChI=1S/C7H11BO4.Y/c1-10-2-7-3-11-4(5(7)9)6(8)12-7;/h4-6,9H,2-3H2,1H3;
InChIKeyZEHGOCYCPLNTHL-UHFFFAOYSA-N
XLogP-1.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.88
LogP ≤ 5-1.35
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 23516197?
The IUPAC name of CID 23516197 (CID 23516197) is not available.
What is the SMILES notation for CID 23516197?
The canonical SMILES for CID 23516197 is [B]C1OC2(COC)COC1C2O.[Y].
What is the InChIKey of CID 23516197?
The InChIKey is ZEHGOCYCPLNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BO4.Y/c1-10-2-7-3-11-4(5(7)9)6(8)12-7;/h4-6,9H,2-3H2,1H3;.
What are the key properties of CID 23516197?
CID 23516197 has a molecular weight of 258.88 g/mol, XLogP of -1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23516197 is sourced from PubChem (CID 23516197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).