heptyl-pentyl-dipropylphosphanium

C18H40P+ — CID 87507955

IUPACheptyl-pentyl-dipropylphosphanium
SMILESCCCCCCC[P+](CCC)(CCC)CCCCC
InChIInChI=1S/C18H40P/c1-5-9-11-12-14-18-19(15-7-3,16-8-4)17-13-10-6-2/h5-18H2,1-4H3/q+1
InChIKeyGVRXMSCVKMDXSS-UHFFFAOYSA-N
MW287.49 g/mol
LogP6.98
Rot. Bonds14

About heptyl-pentyl-dipropylphosphanium

heptyl-pentyl-dipropylphosphanium (PubChem CID 87507955) has the molecular formula C18H40P+ and a molecular weight of 287.49 g/mol. Its IUPAC name is heptyl-pentyl-dipropylphosphanium.

Molecular Properties

Compound Nameheptyl-pentyl-dipropylphosphanium
PubChem CID87507955
Molecular FormulaC18H40P+
Molecular Weight287.49 g/mol
Exact Mass287.29
IUPAC Nameheptyl-pentyl-dipropylphosphanium
SMILESCCCCCCC[P+](CCC)(CCC)CCCCC
InChIInChI=1S/C18H40P/c1-5-9-11-12-14-18-19(15-7-3,16-8-4)17-13-10-6-2/h5-18H2,1-4H3/q+1
InChIKeyGVRXMSCVKMDXSS-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.98
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

dioctyl(dipropyl)phosphanium bromide
CID 87778795
butyl-dioctyl-propylphosphanium
CID 87508429
octadecyl(tripropyl)phosphanium chloride
CID 87778623
pentyl(tripropyl)phosphanium iodide
CID 87777868
tripentyl(propyl)phosphanium bromide
CID 87779046
dibutyl-pentyl-propylphosphanium
CID 87507891
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731

Frequently Asked Questions

What is the IUPAC name of heptyl-pentyl-dipropylphosphanium?
The IUPAC name of heptyl-pentyl-dipropylphosphanium (CID 87507955) is heptyl-pentyl-dipropylphosphanium.
What is the SMILES notation for heptyl-pentyl-dipropylphosphanium?
The canonical SMILES for heptyl-pentyl-dipropylphosphanium is CCCCCCC[P+](CCC)(CCC)CCCCC.
What is the InChIKey of heptyl-pentyl-dipropylphosphanium?
The InChIKey is GVRXMSCVKMDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40P/c1-5-9-11-12-14-18-19(15-7-3,16-8-4)17-13-10-6-2/h5-18H2,1-4H3/q+1.
What are the key properties of heptyl-pentyl-dipropylphosphanium?
heptyl-pentyl-dipropylphosphanium has a molecular weight of 287.49 g/mol, XLogP of 6.98, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-pentyl-dipropylphosphanium is sourced from PubChem (CID 87507955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).