butyl-diethyl-hexylphosphanium

C14H32P+ — CID 87509146

IUPACbutyl-diethyl-hexylphosphanium
SMILESCCCCCC[P+](CC)(CC)CCCC
InChIInChI=1S/C14H32P/c1-5-9-11-12-14-15(7-3,8-4)13-10-6-2/h5-14H2,1-4H3/q+1
InChIKeyOMOSYUNITWJEAR-UHFFFAOYSA-N
MW231.38 g/mol
LogP5.42
Rot. Bonds10

About butyl-diethyl-hexylphosphanium

butyl-diethyl-hexylphosphanium (PubChem CID 87509146) has the molecular formula C14H32P+ and a molecular weight of 231.38 g/mol. Its IUPAC name is butyl-diethyl-hexylphosphanium.

Molecular Properties

Compound Namebutyl-diethyl-hexylphosphanium
PubChem CID87509146
Molecular FormulaC14H32P+
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Namebutyl-diethyl-hexylphosphanium
SMILESCCCCCC[P+](CC)(CC)CCCC
InChIInChI=1S/C14H32P/c1-5-9-11-12-14-15(7-3,8-4)13-10-6-2/h5-14H2,1-4H3/q+1
InChIKeyOMOSYUNITWJEAR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

didecyl(diethyl)phosphanium
CID 87777324
diethyl(dihexyl)phosphanium
CID 22000710
butyl-ethyl-dioctylphosphanium
CID 87508514
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
triethyl(octyl)phosphanium
CID 18769208
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
ethyl-hexyl-dipropylphosphanium
CID 87508300
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894

Frequently Asked Questions

What is the IUPAC name of butyl-diethyl-hexylphosphanium?
The IUPAC name of butyl-diethyl-hexylphosphanium (CID 87509146) is butyl-diethyl-hexylphosphanium.
What is the SMILES notation for butyl-diethyl-hexylphosphanium?
The canonical SMILES for butyl-diethyl-hexylphosphanium is CCCCCC[P+](CC)(CC)CCCC.
What is the InChIKey of butyl-diethyl-hexylphosphanium?
The InChIKey is OMOSYUNITWJEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P/c1-5-9-11-12-14-15(7-3,8-4)13-10-6-2/h5-14H2,1-4H3/q+1.
What are the key properties of butyl-diethyl-hexylphosphanium?
butyl-diethyl-hexylphosphanium has a molecular weight of 231.38 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diethyl-hexylphosphanium is sourced from PubChem (CID 87509146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).