CID 23594186

C8H15BHgO+ — CID 23594186

IUPAC—
SMILES[B]C1OC(CC)C(C)C1C.[Hg+]
InChIInChI=1S/C8H15BO.Hg/c1-4-7-5(2)6(3)8(9)10-7;/h5-8H,4H2,1-3H3;/q;+1
InChIKeyQGOCENPLZSQLRJ-UHFFFAOYSA-N
MW338.61 g/mol
LogP1.56
Rot. Bonds1

About CID 23594186

CID 23594186 (PubChem CID 23594186) has the molecular formula C8H15BHgO+ and a molecular weight of 338.61 g/mol.

Molecular Properties

Compound NameCID 23594186
PubChem CID23594186
Molecular FormulaC8H15BHgO+
Molecular Weight338.61 g/mol
Exact Mass340.09
IUPAC Name—
SMILES[B]C1OC(CC)C(C)C1C.[Hg+]
InChIInChI=1S/C8H15BO.Hg/c1-4-7-5(2)6(3)8(9)10-7;/h5-8H,4H2,1-3H3;/q;+1
InChIKeyQGOCENPLZSQLRJ-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 23594186?
The IUPAC name of CID 23594186 (CID 23594186) is not available.
What is the SMILES notation for CID 23594186?
The canonical SMILES for CID 23594186 is [B]C1OC(CC)C(C)C1C.[Hg+].
What is the InChIKey of CID 23594186?
The InChIKey is QGOCENPLZSQLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO.Hg/c1-4-7-5(2)6(3)8(9)10-7;/h5-8H,4H2,1-3H3;/q;+1.
What are the key properties of CID 23594186?
CID 23594186 has a molecular weight of 338.61 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23594186 is sourced from PubChem (CID 23594186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).