CID 158014904

C4H14B2 — CID 158014904

IUPAC—
SMILESC.C.CC.[B][B]
InChIInChI=1S/C2H6.2CH4.B2/c1-2;;;1-2/h1-2H3;2*1H4;
InChIKeyNXFLGGFPRWTRDF-UHFFFAOYSA-N
MW83.78 g/mol
LogP1.54
Rot. Bonds

About CID 158014904

CID 158014904 (PubChem CID 158014904) has the molecular formula C4H14B2 and a molecular weight of 83.78 g/mol.

Molecular Properties

Compound NameCID 158014904
PubChem CID158014904
Molecular FormulaC4H14B2
Molecular Weight83.78 g/mol
Exact Mass84.13
IUPAC Name—
SMILESC.C.CC.[B][B]
InChIInChI=1S/C2H6.2CH4.B2/c1-2;;;1-2/h1-2H3;2*1H4;
InChIKeyNXFLGGFPRWTRDF-UHFFFAOYSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.78
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158014904?
The IUPAC name of CID 158014904 (CID 158014904) is not available.
What is the SMILES notation for CID 158014904?
The canonical SMILES for CID 158014904 is C.C.CC.[B][B].
What is the InChIKey of CID 158014904?
The InChIKey is NXFLGGFPRWTRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.2CH4.B2/c1-2;;;1-2/h1-2H3;2*1H4;.
What are the key properties of CID 158014904?
CID 158014904 has a molecular weight of 83.78 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158014904 is sourced from PubChem (CID 158014904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).