CID 140686763

C6H12BCl — CID 140686763

IUPAC—
SMILES[B]C(C)(C)CCCCl
InChIInChI=1S/C6H12BCl/c1-6(2,7)4-3-5-8/h3-5H2,1-2H3
InChIKeyMLVLICJIWAHGDG-UHFFFAOYSA-N
MW130.43 g/mol
LogP2.37
Rot. Bonds3

About CID 140686763

CID 140686763 (PubChem CID 140686763) has the molecular formula C6H12BCl and a molecular weight of 130.43 g/mol.

Molecular Properties

Compound NameCID 140686763
PubChem CID140686763
Molecular FormulaC6H12BCl
Molecular Weight130.43 g/mol
Exact Mass130.07
IUPAC Name—
SMILES[B]C(C)(C)CCCCl
InChIInChI=1S/C6H12BCl/c1-6(2,7)4-3-5-8/h3-5H2,1-2H3
InChIKeyMLVLICJIWAHGDG-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.43
LogP ≤ 52.37
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 140686763?
The IUPAC name of CID 140686763 (CID 140686763) is not available.
What is the SMILES notation for CID 140686763?
The canonical SMILES for CID 140686763 is [B]C(C)(C)CCCCl.
What is the InChIKey of CID 140686763?
The InChIKey is MLVLICJIWAHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BCl/c1-6(2,7)4-3-5-8/h3-5H2,1-2H3.
What are the key properties of CID 140686763?
CID 140686763 has a molecular weight of 130.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140686763 is sourced from PubChem (CID 140686763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).