ethyl-hexyl-dipropylphosphanium

C14H32P+ — CID 87508300

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

About ethyl-hexyl-dipropylphosphanium

ethyl-hexyl-dipropylphosphanium (PubChem CID 87508300) has the molecular formula C14H32P+ and a molecular weight of 231.38 g/mol. Its IUPAC name is ethyl-hexyl-dipropylphosphanium.

Molecular Properties

Compound Nameethyl-hexyl-dipropylphosphanium
PubChem CID87508300
Molecular FormulaC14H32P+
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethyl-hexyl-dipropylphosphanium
SMILESCCCCCC[P+](CC)(CCC)CCC
InChIInChI=1S/C14H32P/c1-5-9-10-11-14-15(8-4,12-6-2)13-7-3/h5-14H2,1-4H3/q+1
InChIKeyDSWWURBINJBXPZ-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

butyl-ethyl-dioctylphosphanium
CID 87508514
triethyl(octyl)phosphanium
CID 18769208
didecyl(diethyl)phosphanium
CID 87777324
heptyl-pentyl-dipropylphosphanium
CID 87507955
diethyl(dihexyl)phosphanium
CID 22000710
dioctyl(dipropyl)phosphanium bromide
CID 87778795
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
butyl-diethyl-hexylphosphanium
CID 87509146
butyl-dioctyl-propylphosphanium
CID 87508429
octadecyl(tripropyl)phosphanium chloride
CID 87778623
pentyl(tripropyl)phosphanium iodide
CID 87777868
tripentyl(propyl)phosphanium bromide
CID 87779046

Frequently Asked Questions

What is the IUPAC name of ethyl-hexyl-dipropylphosphanium?
The IUPAC name of ethyl-hexyl-dipropylphosphanium (CID 87508300) is ethyl-hexyl-dipropylphosphanium.
What is the SMILES notation for ethyl-hexyl-dipropylphosphanium?
The canonical SMILES for ethyl-hexyl-dipropylphosphanium is CCCCCC[P+](CC)(CCC)CCC.
What is the InChIKey of ethyl-hexyl-dipropylphosphanium?
The InChIKey is DSWWURBINJBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P/c1-5-9-10-11-14-15(8-4,12-6-2)13-7-3/h5-14H2,1-4H3/q+1.
What are the key properties of ethyl-hexyl-dipropylphosphanium?
ethyl-hexyl-dipropylphosphanium 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 ethyl-hexyl-dipropylphosphanium is sourced from PubChem (CID 87508300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).