CID 174389114

C4H11BP+ — CID 174389114

IUPAC—
SMILES[B]PCCCC.[H+]
InChIInChI=1S/C4H10BP/c1-2-3-4-6-5/h6H,2-4H2,1H3/p+1
InChIKeyZXZPFWLUHUKNKL-UHFFFAOYSA-O
MW100.92 g/mol
LogP1.66
Rot. Bonds3

About CID 174389114

CID 174389114 (PubChem CID 174389114) has the molecular formula C4H11BP+ and a molecular weight of 100.92 g/mol.

Molecular Properties

Compound NameCID 174389114
PubChem CID174389114
Molecular FormulaC4H11BP+
Molecular Weight100.92 g/mol
Exact Mass101.07
IUPAC Name—
SMILES[B]PCCCC.[H+]
InChIInChI=1S/C4H10BP/c1-2-3-4-6-5/h6H,2-4H2,1H3/p+1
InChIKeyZXZPFWLUHUKNKL-UHFFFAOYSA-O
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.92
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexane;hydron
CID 174049109
bromo(butyl)phosphane
CID 142636402
butyl(heptadecyl)phosphane
CID 146521828
butyl(propyl)phosphane;methane
CID 158586194
dipentylphosphane
CID 11105867
CID 134984577
CID 134984577
decyl(undecyl)phosphane
CID 87830755
docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
pentylphosphanylformaldehyde
CID 88740069

Frequently Asked Questions

What is the IUPAC name of CID 174389114?
The IUPAC name of CID 174389114 (CID 174389114) is not available.
What is the SMILES notation for CID 174389114?
The canonical SMILES for CID 174389114 is [B]PCCCC.[H+].
What is the InChIKey of CID 174389114?
The InChIKey is ZXZPFWLUHUKNKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10BP/c1-2-3-4-6-5/h6H,2-4H2,1H3/p+1.
What are the key properties of CID 174389114?
CID 174389114 has a molecular weight of 100.92 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174389114 is sourced from PubChem (CID 174389114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).