CID 159163513

C3H9B3 — CID 159163513

IUPAC—
SMILESCC.[B][B][B]C
InChIInChI=1S/C2H6.CH3B3/c1-2;1-3-4-2/h1-2H3;1H3
InChIKeyCWSVKCROEIAVID-UHFFFAOYSA-N
MW77.54 g/mol
LogP0.47
Rot. Bonds1

About CID 159163513

CID 159163513 (PubChem CID 159163513) has the molecular formula C3H9B3 and a molecular weight of 77.54 g/mol.

Molecular Properties

Compound NameCID 159163513
PubChem CID159163513
Molecular FormulaC3H9B3
Molecular Weight77.54 g/mol
Exact Mass78.10
IUPAC Name—
SMILESCC.[B][B][B]C
InChIInChI=1S/C2H6.CH3B3/c1-2;1-3-4-2/h1-2H3;1H3
InChIKeyCWSVKCROEIAVID-UHFFFAOYSA-N
XLogP0.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.54
LogP ≤ 50.47
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 159163513?
The IUPAC name of CID 159163513 (CID 159163513) is not available.
What is the SMILES notation for CID 159163513?
The canonical SMILES for CID 159163513 is CC.[B][B][B]C.
What is the InChIKey of CID 159163513?
The InChIKey is CWSVKCROEIAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH3B3/c1-2;1-3-4-2/h1-2H3;1H3.
What are the key properties of CID 159163513?
CID 159163513 has a molecular weight of 77.54 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159163513 is sourced from PubChem (CID 159163513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).