CID 141289954

C10H15BP — CID 141289954

IUPAC—
SMILESCC(C)(C)[B]Pc1ccccc1
InChIInChI=1S/C10H15BP/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChIKeyLPVZYJIMRKRSDX-UHFFFAOYSA-N
MW177.02 g/mol
LogP2.83
Rot. Bonds2

About CID 141289954

CID 141289954 (PubChem CID 141289954) has the molecular formula C10H15BP and a molecular weight of 177.02 g/mol.

Molecular Properties

Compound NameCID 141289954
PubChem CID141289954
Molecular FormulaC10H15BP
Molecular Weight177.02 g/mol
Exact Mass177.10
IUPAC Name—
SMILESCC(C)(C)[B]Pc1ccccc1
InChIInChI=1S/C10H15BP/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChIKeyLPVZYJIMRKRSDX-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.02
LogP ≤ 52.83
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 141289954?
The IUPAC name of CID 141289954 (CID 141289954) is not available.
What is the SMILES notation for CID 141289954?
The canonical SMILES for CID 141289954 is CC(C)(C)[B]Pc1ccccc1.
What is the InChIKey of CID 141289954?
The InChIKey is LPVZYJIMRKRSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BP/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,12H,1-3H3.
What are the key properties of CID 141289954?
CID 141289954 has a molecular weight of 177.02 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141289954 is sourced from PubChem (CID 141289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).