CID 160990607

C4H13B — CID 160990607

IUPAC—
SMILESCC.[2H]C.[B]C
InChIInChI=1S/C2H6.CH3B.CH4/c2*1-2;/h1-2H3;1H3;1H4/i;;1D
InChIKeyGNEXZIPMYOLWOS-PRQZKWGPSA-N
MW72.97 g/mol
LogP1.87
Rot. Bonds

About CID 160990607

CID 160990607 (PubChem CID 160990607) has the molecular formula C4H13B and a molecular weight of 72.97 g/mol.

Molecular Properties

Compound NameCID 160990607
PubChem CID160990607
Molecular FormulaC4H13B
Molecular Weight72.97 g/mol
Exact Mass73.12
IUPAC Name—
SMILESCC.[2H]C.[B]C
InChIInChI=1S/C2H6.CH3B.CH4/c2*1-2;/h1-2H3;1H3;1H4/i;;1D
InChIKeyGNEXZIPMYOLWOS-PRQZKWGPSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.97
LogP ≤ 51.87
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 160990607?
The IUPAC name of CID 160990607 (CID 160990607) is not available.
What is the SMILES notation for CID 160990607?
The canonical SMILES for CID 160990607 is CC.[2H]C.[B]C.
What is the InChIKey of CID 160990607?
The InChIKey is GNEXZIPMYOLWOS-PRQZKWGPSA-N. The full InChI is InChI=1S/C2H6.CH3B.CH4/c2*1-2;/h1-2H3;1H3;1H4/i;;1D.
What are the key properties of CID 160990607?
CID 160990607 has a molecular weight of 72.97 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160990607 is sourced from PubChem (CID 160990607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).