benzyl-pent-4-enyl-dipropylphosphanium

C18H30P+ — CID 69022756

IUPACbenzyl-pent-4-enyl-dipropylphosphanium
SMILESC=CCCC[P+](CCC)(CCC)Cc1ccccc1
InChIInChI=1S/C18H30P/c1-4-7-11-16-19(14-5-2,15-6-3)17-18-12-9-8-10-13-18/h4,8-10,12-13H,1,5-7,11,14-17H2,2-3H3/q+1
InChIKeyPZUYKNVYIBGLQT-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.99
Rot. Bonds10

About benzyl-pent-4-enyl-dipropylphosphanium

benzyl-pent-4-enyl-dipropylphosphanium (PubChem CID 69022756) has the molecular formula C18H30P+ and a molecular weight of 277.41 g/mol. Its IUPAC name is benzyl-pent-4-enyl-dipropylphosphanium.

Molecular Properties

Compound Namebenzyl-pent-4-enyl-dipropylphosphanium
PubChem CID69022756
Molecular FormulaC18H30P+
Molecular Weight277.41 g/mol
Exact Mass277.21
IUPAC Namebenzyl-pent-4-enyl-dipropylphosphanium
SMILESC=CCCC[P+](CCC)(CCC)Cc1ccccc1
InChIInChI=1S/C18H30P/c1-4-7-11-16-19(14-5-2,15-6-3)17-18-12-9-8-10-13-18/h4,8-10,12-13H,1,5-7,11,14-17H2,2-3H3/q+1
InChIKeyPZUYKNVYIBGLQT-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dec-9-enyl-dioctylphosphanium
CID 67372457
benzyl(tripropyl)phosphanium bromide
CID 68744786
2-propylhept-6-enylbenzene
CID 123998172
dibenzyl-hexyl-propylphosphanium
CID 175204053
azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
CID 174799231
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604
benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
N,N-dimethyl-1-phenylbut-3-en-2-amine;icos-1-ene;hydrochloride
CID 174760573
benzyl-tris(prop-2-enyl)phosphanium;ethene
CID 174788600

Frequently Asked Questions

What is the IUPAC name of benzyl-pent-4-enyl-dipropylphosphanium?
The IUPAC name of benzyl-pent-4-enyl-dipropylphosphanium (CID 69022756) is benzyl-pent-4-enyl-dipropylphosphanium.
What is the SMILES notation for benzyl-pent-4-enyl-dipropylphosphanium?
The canonical SMILES for benzyl-pent-4-enyl-dipropylphosphanium is C=CCCC[P+](CCC)(CCC)Cc1ccccc1.
What is the InChIKey of benzyl-pent-4-enyl-dipropylphosphanium?
The InChIKey is PZUYKNVYIBGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30P/c1-4-7-11-16-19(14-5-2,15-6-3)17-18-12-9-8-10-13-18/h4,8-10,12-13H,1,5-7,11,14-17H2,2-3H3/q+1.
What are the key properties of benzyl-pent-4-enyl-dipropylphosphanium?
benzyl-pent-4-enyl-dipropylphosphanium has a molecular weight of 277.41 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-pent-4-enyl-dipropylphosphanium is sourced from PubChem (CID 69022756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).