[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium

C28H34O6P+ — CID 101016733

IUPAC[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium
SMILESC/C=C/C[P+](c1ccccc1OCOC)(c1ccccc1OCOC)c1ccccc1OCOC
InChIInChI=1S/C28H34O6P/c1-5-6-19-35(26-16-10-7-13-23(26)32-20-29-2,27-17-11-8-14-24(27)33-21-30-3)28-18-12-9-15-25(28)34-22-31-4/h5-18H,19-22H2,1-4H3/q+1/b6-5+
InChIKeyFHBMNEOYDARHLX-AATRIKPKSA-N
MW497.55 g/mol
LogP4.50
Rot. Bonds14

About [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium

[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium (PubChem CID 101016733) has the molecular formula C28H34O6P+ and a molecular weight of 497.55 g/mol. Its IUPAC name is [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium.

Molecular Properties

Compound Name[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium
PubChem CID101016733
Molecular FormulaC28H34O6P+
Molecular Weight497.55 g/mol
Exact Mass497.21
IUPAC Name[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium
SMILESC/C=C/C[P+](c1ccccc1OCOC)(c1ccccc1OCOC)c1ccccc1OCOC
InChIInChI=1S/C28H34O6P/c1-5-6-19-35(26-16-10-7-13-23(26)32-20-29-2,27-17-11-8-14-24(27)33-21-30-3)28-18-12-9-15-25(28)34-22-31-4/h5-18H,19-22H2,1-4H3/q+1/b6-5+
InChIKeyFHBMNEOYDARHLX-AATRIKPKSA-N
XLogP4.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium
CID 84820726
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
CID 101341939
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
(2,6-dimethoxyphenyl)-[2-(methoxymethoxy)phenyl]methanol
CID 101068033

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium?
The IUPAC name of [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium (CID 101016733) is [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium.
What is the SMILES notation for [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium?
The canonical SMILES for [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium is C/C=C/C[P+](c1ccccc1OCOC)(c1ccccc1OCOC)c1ccccc1OCOC.
What is the InChIKey of [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium?
The InChIKey is FHBMNEOYDARHLX-AATRIKPKSA-N. The full InChI is InChI=1S/C28H34O6P/c1-5-6-19-35(26-16-10-7-13-23(26)32-20-29-2,27-17-11-8-14-24(27)33-21-30-3)28-18-12-9-15-25(28)34-22-31-4/h5-18H,19-22H2,1-4H3/q+1/b6-5+.
What are the key properties of [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium?
[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium has a molecular weight of 497.55 g/mol, XLogP of 4.50, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium is sourced from PubChem (CID 101016733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).