[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium

C24H24OP+ — CID 102099076

IUPAC[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium
SMILESC=C(/C=C/COC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24OP/c1-21(13-12-20-25-2)26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-19H,1,20H2,2H3/q+1/b13-12+
InChIKeyFFWBFXBGYKLBOR-OUKQBFOZSA-N
MW359.43 g/mol
LogP4.70
Rot. Bonds7

About [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium

[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium (PubChem CID 102099076) has the molecular formula C24H24OP+ and a molecular weight of 359.43 g/mol. Its IUPAC name is [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium
PubChem CID102099076
Molecular FormulaC24H24OP+
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium
SMILESC=C(/C=C/COC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24OP/c1-21(13-12-20-25-2)26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-19H,1,20H2,2H3/q+1/b13-12+
InChIKeyFFWBFXBGYKLBOR-OUKQBFOZSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl (E)-4-methoxybut-2-enoate
CID 174589073
triphenyl(prop-1-en-2-yl)phosphanium bromide
CID 57358625
(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
CID 169217501
1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
[(E)-3-methoxyprop-1-enyl]-phenyliodanium
CID 10689983
[(E)-3-methoxyprop-1-enyl]-triphenylsilane
CID 102399031
hex-1-en-2-yl(triphenyl)phosphanium
CID 10939905
4-hydroxybut-1-en-2-yl(triphenyl)phosphanium
CID 101022398
dimethyl 2-[(E)-4-methoxy-1-phenylbut-2-enyl]propanedioate
CID 12030871
methoxy(triphenyl)phosphanium;hydrobromide
CID 174550748
2-methylprop-2-enyl-[2-[2-methylprop-2-enyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 88564218
(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine
CID 155697747

Frequently Asked Questions

What is the IUPAC name of [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium?
The IUPAC name of [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium (CID 102099076) is [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium?
The canonical SMILES for [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium is C=C(/C=C/COC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium?
The InChIKey is FFWBFXBGYKLBOR-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H24OP/c1-21(13-12-20-25-2)26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-19H,1,20H2,2H3/q+1/b13-12+.
What are the key properties of [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium?
[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium has a molecular weight of 359.43 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium is sourced from PubChem (CID 102099076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).