CID 123229942

C10H15BP+ — CID 123229942

IUPAC—
SMILES[B][PH+](c1ccccc1)C(C)(C)C
InChIInChI=1S/C10H15BP/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8,12H,1-3H3/q+1
InChIKeyKBEFNPKCESHCBI-UHFFFAOYSA-N
MW177.02 g/mol
LogP2.41
Rot. Bonds1

About CID 123229942

CID 123229942 (PubChem CID 123229942) has the molecular formula C10H15BP+ and a molecular weight of 177.02 g/mol.

Molecular Properties

Compound NameCID 123229942
PubChem CID123229942
Molecular FormulaC10H15BP+
Molecular Weight177.02 g/mol
Exact Mass177.10
IUPAC Name—
SMILES[B][PH+](c1ccccc1)C(C)(C)C
InChIInChI=1S/C10H15BP/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8,12H,1-3H3/q+1
InChIKeyKBEFNPKCESHCBI-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.02
LogP ≤ 52.41
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 123229942?
The IUPAC name of CID 123229942 (CID 123229942) is not available.
What is the SMILES notation for CID 123229942?
The canonical SMILES for CID 123229942 is [B][PH+](c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 123229942?
The InChIKey is KBEFNPKCESHCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BP/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8,12H,1-3H3/q+1.
What are the key properties of CID 123229942?
CID 123229942 has a molecular weight of 177.02 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123229942 is sourced from PubChem (CID 123229942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).