CID 158901253

C4H12B3 — CID 158901253

IUPAC—
SMILESCC.CC.[B][B][B]
InChIInChI=1S/2C2H6.B3/c2*1-2;1-3-2/h2*1-2H3;
InChIKeyINBOWECOHOKVLV-UHFFFAOYSA-N
MW92.58 g/mol
LogP0.91
Rot. Bonds

About CID 158901253

CID 158901253 (PubChem CID 158901253) has the molecular formula C4H12B3 and a molecular weight of 92.58 g/mol.

Molecular Properties

Compound NameCID 158901253
PubChem CID158901253
Molecular FormulaC4H12B3
Molecular Weight92.58 g/mol
Exact Mass93.12
IUPAC Name—
SMILESCC.CC.[B][B][B]
InChIInChI=1S/2C2H6.B3/c2*1-2;1-3-2/h2*1-2H3;
InChIKeyINBOWECOHOKVLV-UHFFFAOYSA-N
XLogP0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.58
LogP ≤ 50.91
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 158901253?
The IUPAC name of CID 158901253 (CID 158901253) is not available.
What is the SMILES notation for CID 158901253?
The canonical SMILES for CID 158901253 is CC.CC.[B][B][B].
What is the InChIKey of CID 158901253?
The InChIKey is INBOWECOHOKVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.B3/c2*1-2;1-3-2/h2*1-2H3;.
What are the key properties of CID 158901253?
CID 158901253 has a molecular weight of 92.58 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158901253 is sourced from PubChem (CID 158901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).