dibutyl-ethyl-methylphosphanium

C11H26P+ — CID 58444360

IUPACdibutyl-ethyl-methylphosphanium
SMILESCCCC[P+](C)(CC)CCCC
InChIInChI=1S/C11H26P/c1-5-8-10-12(4,7-3)11-9-6-2/h5-11H2,1-4H3/q+1
InChIKeyQPPNESSQYIIHFN-UHFFFAOYSA-N
MW189.30 g/mol
LogP4.25
Rot. Bonds7

About dibutyl-ethyl-methylphosphanium

dibutyl-ethyl-methylphosphanium (PubChem CID 58444360) has the molecular formula C11H26P+ and a molecular weight of 189.30 g/mol. Its IUPAC name is dibutyl-ethyl-methylphosphanium.

Molecular Properties

Compound Namedibutyl-ethyl-methylphosphanium
PubChem CID58444360
Molecular FormulaC11H26P+
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Namedibutyl-ethyl-methylphosphanium
SMILESCCCC[P+](C)(CC)CCCC
InChIInChI=1S/C11H26P/c1-5-8-10-12(4,7-3)11-9-6-2/h5-11H2,1-4H3/q+1
InChIKeyQPPNESSQYIIHFN-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(methyl)phosphanium
CID 2760115
tributyl(methyl)phosphanium iodide
CID 2760114
tributyl(methyl)phosphanium iodate
CID 158924304
dodecyl-diethyl-methylphosphanium bromide
CID 162058265
triheptyl(methyl)phosphanium
CID 87447401
trihexadecyl(methyl)phosphanium
CID 22750516
tributyl(methyl)phosphanium;tributyl(octyl)phosphanium;triethyl(octyl)phosphanium
CID 175008911
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
cobalt;3-methanidylheptane
CID 154097431
methane;2-methylbutane;2-methylhexane
CID 167665387
3-methylheptane;nickel
CID 158967838
2-methylhexane;hydrochloride
CID 172797630

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethyl-methylphosphanium?
The IUPAC name of dibutyl-ethyl-methylphosphanium (CID 58444360) is dibutyl-ethyl-methylphosphanium.
What is the SMILES notation for dibutyl-ethyl-methylphosphanium?
The canonical SMILES for dibutyl-ethyl-methylphosphanium is CCCC[P+](C)(CC)CCCC.
What is the InChIKey of dibutyl-ethyl-methylphosphanium?
The InChIKey is QPPNESSQYIIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26P/c1-5-8-10-12(4,7-3)11-9-6-2/h5-11H2,1-4H3/q+1.
What are the key properties of dibutyl-ethyl-methylphosphanium?
dibutyl-ethyl-methylphosphanium has a molecular weight of 189.30 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethyl-methylphosphanium is sourced from PubChem (CID 58444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).