CID 134886012

C4H11BP — CID 134886012

IUPAC—
SMILESCC(C)(C)P.[B]
InChIInChI=1S/C4H11P.B/c1-4(2,3)5;/h5H2,1-3H3;
InChIKeyKPIQJKKLWTWHNX-UHFFFAOYSA-N
MW100.92 g/mol
LogP1.28
Rot. Bonds

About CID 134886012

CID 134886012 (PubChem CID 134886012) has the molecular formula C4H11BP and a molecular weight of 100.92 g/mol.

Molecular Properties

Compound NameCID 134886012
PubChem CID134886012
Molecular FormulaC4H11BP
Molecular Weight100.92 g/mol
Exact Mass101.07
IUPAC Name—
SMILESCC(C)(C)P.[B]
InChIInChI=1S/C4H11P.B/c1-4(2,3)5;/h5H2,1-3H3;
InChIKeyKPIQJKKLWTWHNX-UHFFFAOYSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.92
LogP ≤ 51.28
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 134886012?
The IUPAC name of CID 134886012 (CID 134886012) is not available.
What is the SMILES notation for CID 134886012?
The canonical SMILES for CID 134886012 is CC(C)(C)P.[B].
What is the InChIKey of CID 134886012?
The InChIKey is KPIQJKKLWTWHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.B/c1-4(2,3)5;/h5H2,1-3H3;.
What are the key properties of CID 134886012?
CID 134886012 has a molecular weight of 100.92 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134886012 is sourced from PubChem (CID 134886012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).