CID 59576282

C5H9BP+ — CID 59576282

IUPAC—
SMILES[B][P+](C)(C)CC#C
InChIInChI=1S/C5H9BP/c1-4-5-7(2,3)6/h1H,5H2,2-3H3/q+1
InChIKeyCINLYBNIVUOMQP-UHFFFAOYSA-N
MW110.91 g/mol
LogP0.98
Rot. Bonds1

About CID 59576282

CID 59576282 (PubChem CID 59576282) has the molecular formula C5H9BP+ and a molecular weight of 110.91 g/mol.

Molecular Properties

Compound NameCID 59576282
PubChem CID59576282
Molecular FormulaC5H9BP+
Molecular Weight110.91 g/mol
Exact Mass111.05
IUPAC Name—
SMILES[B][P+](C)(C)CC#C
InChIInChI=1S/C5H9BP/c1-4-5-7(2,3)6/h1H,5H2,2-3H3/q+1
InChIKeyCINLYBNIVUOMQP-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.91
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59576282?
The IUPAC name of CID 59576282 (CID 59576282) is not available.
What is the SMILES notation for CID 59576282?
The canonical SMILES for CID 59576282 is [B][P+](C)(C)CC#C.
What is the InChIKey of CID 59576282?
The InChIKey is CINLYBNIVUOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BP/c1-4-5-7(2,3)6/h1H,5H2,2-3H3/q+1.
What are the key properties of CID 59576282?
CID 59576282 has a molecular weight of 110.91 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59576282 is sourced from PubChem (CID 59576282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).