CID 18685476

C4H8BY-2 — CID 18685476

IUPAC—
SMILESC=[C-]C.[B].[CH3-].[Y]
InChIInChI=1S/C3H5.CH3.B.Y/c1-3-2;;;/h1H2,2H3;1H3;;/q2*-1;;
InChIKeyWLNMPNZLJFBIPR-UHFFFAOYSA-N
MW155.83 g/mol
LogP1.06
Rot. Bonds

About CID 18685476

CID 18685476 (PubChem CID 18685476) has the molecular formula C4H8BY-2 and a molecular weight of 155.83 g/mol.

Molecular Properties

Compound NameCID 18685476
PubChem CID18685476
Molecular FormulaC4H8BY-2
Molecular Weight155.83 g/mol
Exact Mass155.98
IUPAC Name—
SMILESC=[C-]C.[B].[CH3-].[Y]
InChIInChI=1S/C3H5.CH3.B.Y/c1-3-2;;;/h1H2,2H3;1H3;;/q2*-1;;
InChIKeyWLNMPNZLJFBIPR-UHFFFAOYSA-N
XLogP1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.83
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18685476?
The IUPAC name of CID 18685476 (CID 18685476) is not available.
What is the SMILES notation for CID 18685476?
The canonical SMILES for CID 18685476 is C=[C-]C.[B].[CH3-].[Y].
What is the InChIKey of CID 18685476?
The InChIKey is WLNMPNZLJFBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.CH3.B.Y/c1-3-2;;;/h1H2,2H3;1H3;;/q2*-1;;.
What are the key properties of CID 18685476?
CID 18685476 has a molecular weight of 155.83 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18685476 is sourced from PubChem (CID 18685476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).