CID 20645184

C4H8BIP — CID 20645184

IUPAC—
SMILESC=CCP(I)[B]C
InChIInChI=1S/C4H8BIP/c1-3-4-7(6)5-2/h3H,1,4H2,2H3
InChIKeyBDGPZECOKTXTAE-UHFFFAOYSA-N
MW224.80 g/mol
LogP2.67
Rot. Bonds3

About CID 20645184

CID 20645184 (PubChem CID 20645184) has the molecular formula C4H8BIP and a molecular weight of 224.80 g/mol.

Molecular Properties

Compound NameCID 20645184
PubChem CID20645184
Molecular FormulaC4H8BIP
Molecular Weight224.80 g/mol
Exact Mass224.95
IUPAC Name—
SMILESC=CCP(I)[B]C
InChIInChI=1S/C4H8BIP/c1-3-4-7(6)5-2/h3H,1,4H2,2H3
InChIKeyBDGPZECOKTXTAE-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20645184?
The IUPAC name of CID 20645184 (CID 20645184) is not available.
What is the SMILES notation for CID 20645184?
The canonical SMILES for CID 20645184 is C=CCP(I)[B]C.
What is the InChIKey of CID 20645184?
The InChIKey is BDGPZECOKTXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BIP/c1-3-4-7(6)5-2/h3H,1,4H2,2H3.
What are the key properties of CID 20645184?
CID 20645184 has a molecular weight of 224.80 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20645184 is sourced from PubChem (CID 20645184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).