[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium

C19H22P+ — CID 170234341

IUPAC[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium
SMILESC/C=C\C=C(/C)[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22P/c1-4-5-12-17(2)20(3,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h4-16H,1-3H3/q+1/b5-4-,17-12+
InChIKeyGFVISLPYQOFHLG-RUGYOBOGSA-N
MW281.36 g/mol
LogP4.76
Rot. Bonds4

About [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium

[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium (PubChem CID 170234341) has the molecular formula C19H22P+ and a molecular weight of 281.36 g/mol. Its IUPAC name is [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium
PubChem CID170234341
Molecular FormulaC19H22P+
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium
SMILESC/C=C\C=C(/C)[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22P/c1-4-5-12-17(2)20(3,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h4-16H,1-3H3/q+1/b5-4-,17-12+
InChIKeyGFVISLPYQOFHLG-RUGYOBOGSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium?
The IUPAC name of [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium (CID 170234341) is [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium.
What is the SMILES notation for [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium?
The canonical SMILES for [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium is C/C=C\C=C(/C)[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium?
The InChIKey is GFVISLPYQOFHLG-RUGYOBOGSA-N. The full InChI is InChI=1S/C19H22P/c1-4-5-12-17(2)20(3,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h4-16H,1-3H3/q+1/b5-4-,17-12+.
What are the key properties of [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium?
[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium has a molecular weight of 281.36 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium is sourced from PubChem (CID 170234341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).