CID 150721526

C5H10BCl — CID 150721526

IUPAC—
SMILES[B]CC(Cl)CCC
InChIInChI=1S/C5H10BCl/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
InChIKeyJPYOFUMXHUMBGL-UHFFFAOYSA-N
MW116.40 g/mol
LogP1.98
Rot. Bonds3

About CID 150721526

CID 150721526 (PubChem CID 150721526) has the molecular formula C5H10BCl and a molecular weight of 116.40 g/mol.

Molecular Properties

Compound NameCID 150721526
PubChem CID150721526
Molecular FormulaC5H10BCl
Molecular Weight116.40 g/mol
Exact Mass116.06
IUPAC Name—
SMILES[B]CC(Cl)CCC
InChIInChI=1S/C5H10BCl/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
InChIKeyJPYOFUMXHUMBGL-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.40
LogP ≤ 51.98
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 150721526?
The IUPAC name of CID 150721526 (CID 150721526) is not available.
What is the SMILES notation for CID 150721526?
The canonical SMILES for CID 150721526 is [B]CC(Cl)CCC.
What is the InChIKey of CID 150721526?
The InChIKey is JPYOFUMXHUMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BCl/c1-2-3-5(7)4-6/h5H,2-4H2,1H3.
What are the key properties of CID 150721526?
CID 150721526 has a molecular weight of 116.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150721526 is sourced from PubChem (CID 150721526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).