CID 59043139

C4H8B — CID 59043139

IUPAC—
SMILES[B]C(C)[CH]C
InChIInChI=1S/C4H8B/c1-3-4(2)5/h3-4H,1-2H3
InChIKeySGCOOBCUBLNCJK-UHFFFAOYSA-N
MW66.92 g/mol
LogP1.19
Rot. Bonds1

About CID 59043139

CID 59043139 (PubChem CID 59043139) has the molecular formula C4H8B and a molecular weight of 66.92 g/mol.

Molecular Properties

Compound NameCID 59043139
PubChem CID59043139
Molecular FormulaC4H8B
Molecular Weight66.92 g/mol
Exact Mass67.07
IUPAC Name—
SMILES[B]C(C)[CH]C
InChIInChI=1S/C4H8B/c1-3-4(2)5/h3-4H,1-2H3
InChIKeySGCOOBCUBLNCJK-UHFFFAOYSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.92
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 174149816

Frequently Asked Questions

What is the IUPAC name of CID 59043139?
The IUPAC name of CID 59043139 (CID 59043139) is not available.
What is the SMILES notation for CID 59043139?
The canonical SMILES for CID 59043139 is [B]C(C)[CH]C.
What is the InChIKey of CID 59043139?
The InChIKey is SGCOOBCUBLNCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8B/c1-3-4(2)5/h3-4H,1-2H3.
What are the key properties of CID 59043139?
CID 59043139 has a molecular weight of 66.92 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59043139 is sourced from PubChem (CID 59043139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).