CID 157065530

C10H26BI — CID 157065530

IUPAC—
SMILESCC.CC.CCC.[B]C(I)CC
InChIInChI=1S/C3H6BI.C3H8.2C2H6/c1-2-3(4)5;1-3-2;2*1-2/h3H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyZDIOIWSNVPVGSG-UHFFFAOYSA-N
MW284.03 g/mol
LogP4.79
Rot. Bonds1

About CID 157065530

CID 157065530 (PubChem CID 157065530) has the molecular formula C10H26BI and a molecular weight of 284.03 g/mol.

Molecular Properties

Compound NameCID 157065530
PubChem CID157065530
Molecular FormulaC10H26BI
Molecular Weight284.03 g/mol
Exact Mass284.12
IUPAC Name—
SMILESCC.CC.CCC.[B]C(I)CC
InChIInChI=1S/C3H6BI.C3H8.2C2H6/c1-2-3(4)5;1-3-2;2*1-2/h3H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyZDIOIWSNVPVGSG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173025717
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Frequently Asked Questions

What is the IUPAC name of CID 157065530?
The IUPAC name of CID 157065530 (CID 157065530) is not available.
What is the SMILES notation for CID 157065530?
The canonical SMILES for CID 157065530 is CC.CC.CCC.[B]C(I)CC.
What is the InChIKey of CID 157065530?
The InChIKey is ZDIOIWSNVPVGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BI.C3H8.2C2H6/c1-2-3(4)5;1-3-2;2*1-2/h3H,2H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of CID 157065530?
CID 157065530 has a molecular weight of 284.03 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157065530 is sourced from PubChem (CID 157065530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).