benzyl-tris(prop-2-enyl)phosphanium;ethene

C18H26P+ — CID 174788600

IUPACbenzyl-tris(prop-2-enyl)phosphanium;ethene
SMILESC=C.C=CC[P+](CC=C)(CC=C)Cc1ccccc1
InChIInChI=1S/C16H22P.C2H4/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-2/h4-11H,1-3,12-15H2;1-2H2/q+1;
InChIKeyFZTYBJRNECSWED-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.56
Rot. Bonds8

About benzyl-tris(prop-2-enyl)phosphanium;ethene

benzyl-tris(prop-2-enyl)phosphanium;ethene (PubChem CID 174788600) has the molecular formula C18H26P+ and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl-tris(prop-2-enyl)phosphanium;ethene.

Molecular Properties

Compound Namebenzyl-tris(prop-2-enyl)phosphanium;ethene
PubChem CID174788600
Molecular FormulaC18H26P+
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namebenzyl-tris(prop-2-enyl)phosphanium;ethene
SMILESC=C.C=CC[P+](CC=C)(CC=C)Cc1ccccc1
InChIInChI=1S/C16H22P.C2H4/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-2/h4-11H,1-3,12-15H2;1-2H2/q+1;
InChIKeyFZTYBJRNECSWED-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
CID 174799231
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
benzyl-pent-4-enyl-dipropylphosphanium
CID 69022756
tribenzyl(ethyl)phosphanium
CID 23415376
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
prop-2-enylbenzene
CID 159998516
benzyl-dec-9-enyl-dioctylphosphanium
CID 67372457
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
CID 173215164
CID 173215164
prop-2-enylbenzene;dihydrochloride
CID 174768742

Frequently Asked Questions

What is the IUPAC name of benzyl-tris(prop-2-enyl)phosphanium;ethene?
The IUPAC name of benzyl-tris(prop-2-enyl)phosphanium;ethene (CID 174788600) is benzyl-tris(prop-2-enyl)phosphanium;ethene.
What is the SMILES notation for benzyl-tris(prop-2-enyl)phosphanium;ethene?
The canonical SMILES for benzyl-tris(prop-2-enyl)phosphanium;ethene is C=C.C=CC[P+](CC=C)(CC=C)Cc1ccccc1.
What is the InChIKey of benzyl-tris(prop-2-enyl)phosphanium;ethene?
The InChIKey is FZTYBJRNECSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22P.C2H4/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-2/h4-11H,1-3,12-15H2;1-2H2/q+1;.
What are the key properties of benzyl-tris(prop-2-enyl)phosphanium;ethene?
benzyl-tris(prop-2-enyl)phosphanium;ethene has a molecular weight of 273.38 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tris(prop-2-enyl)phosphanium;ethene is sourced from PubChem (CID 174788600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).