CID 87934215

C4H11BCl2O — CID 87934215

IUPAC—
SMILESCl.Cl.[B]OCCCC
InChIInChI=1S/C4H9BO.2ClH/c1-2-3-4-6-5;;/h2-4H2,1H3;2*1H
InChIKeyMLHFPOUWWXGPPE-UHFFFAOYSA-N
MW156.85 g/mol
LogP1.73
Rot. Bonds3

About CID 87934215

CID 87934215 (PubChem CID 87934215) has the molecular formula C4H11BCl2O and a molecular weight of 156.85 g/mol.

Molecular Properties

Compound NameCID 87934215
PubChem CID87934215
Molecular FormulaC4H11BCl2O
Molecular Weight156.85 g/mol
Exact Mass156.03
IUPAC Name—
SMILESCl.Cl.[B]OCCCC
InChIInChI=1S/C4H9BO.2ClH/c1-2-3-4-6-5;;/h2-4H2,1H3;2*1H
InChIKeyMLHFPOUWWXGPPE-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.85
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87934215?
The IUPAC name of CID 87934215 (CID 87934215) is not available.
What is the SMILES notation for CID 87934215?
The canonical SMILES for CID 87934215 is Cl.Cl.[B]OCCCC.
What is the InChIKey of CID 87934215?
The InChIKey is MLHFPOUWWXGPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BO.2ClH/c1-2-3-4-6-5;;/h2-4H2,1H3;2*1H.
What are the key properties of CID 87934215?
CID 87934215 has a molecular weight of 156.85 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87934215 is sourced from PubChem (CID 87934215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).