benzyl-tris(prop-2-enyl)phosphanium

C16H22P+ — CID 66801422

IUPACbenzyl-tris(prop-2-enyl)phosphanium
SMILESC=CC[P+](CC=C)(CC=C)Cc1ccccc1
InChIInChI=1S/C16H22P/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h4-11H,1-3,12-15H2/q+1
InChIKeyMQDUOZDRUXEFJH-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.76
Rot. Bonds8

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

benzyl-tris(prop-2-enyl)phosphanium (PubChem CID 66801422) has the molecular formula C16H22P+ and a molecular weight of 245.33 g/mol. Its IUPAC name is benzyl-tris(prop-2-enyl)phosphanium.

Molecular Properties

Compound Namebenzyl-tris(prop-2-enyl)phosphanium
PubChem CID66801422
Molecular FormulaC16H22P+
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namebenzyl-tris(prop-2-enyl)phosphanium
SMILESC=CC[P+](CC=C)(CC=C)Cc1ccccc1
InChIInChI=1S/C16H22P/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h4-11H,1-3,12-15H2/q+1
InChIKeyMQDUOZDRUXEFJH-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.76
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;ethene
CID 174788600
azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
CID 174799231
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
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
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742

Frequently Asked Questions

What is the IUPAC name of benzyl-tris(prop-2-enyl)phosphanium?
The IUPAC name of benzyl-tris(prop-2-enyl)phosphanium (CID 66801422) is benzyl-tris(prop-2-enyl)phosphanium.
What is the SMILES notation for benzyl-tris(prop-2-enyl)phosphanium?
The canonical SMILES for benzyl-tris(prop-2-enyl)phosphanium is C=CC[P+](CC=C)(CC=C)Cc1ccccc1.
What is the InChIKey of benzyl-tris(prop-2-enyl)phosphanium?
The InChIKey is MQDUOZDRUXEFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22P/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h4-11H,1-3,12-15H2/q+1.
What are the key properties of benzyl-tris(prop-2-enyl)phosphanium?
benzyl-tris(prop-2-enyl)phosphanium has a molecular weight of 245.33 g/mol, XLogP of 4.76, 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 is sourced from PubChem (CID 66801422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).