[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium

C30H31OPSe+2 — CID 23268007

IUPAC[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
SMILESCCO/C(=C(\[Se+](C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31OPSe/c1-4-31-29(25-17-9-5-10-18-25)30(33(2)3)32(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,4H2,1-3H3/q+2/b30-29-
InChIKeyNDJVVASZWBZXPA-FLWNBWAVSA-N
MW517.51 g/mol
LogP6.68
Rot. Bonds8

About [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium

[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium (PubChem CID 23268007) has the molecular formula C30H31OPSe+2 and a molecular weight of 517.51 g/mol. Its IUPAC name is [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
PubChem CID23268007
Molecular FormulaC30H31OPSe+2
Molecular Weight517.51 g/mol
Exact Mass518.13
IUPAC Name[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
SMILESCCO/C(=C(\[Se+](C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31OPSe/c1-4-31-29(25-17-9-5-10-18-25)30(33(2)3)32(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,4H2,1-3H3/q+2/b30-29-
InChIKeyNDJVVASZWBZXPA-FLWNBWAVSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
2-[ethoxy(phenyl)methylidene]propanedioic acid
CID 69168972
(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol
CID 70140967
[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene
CID 54173331
[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium
CID 23267115
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
CID 158970570
CID 158970570
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
CID 6517471
(4-ethoxycarbonylphenyl)-triphenylphosphanium chloride
CID 86174143
(1,2-diethoxy-2-oxoethyl)-triphenylphosphanium;hydrochloride
CID 126960654
ethoxy-dihydroxy-phenylphosphanium
CID 56992947

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium (CID 23268007) is [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium is CCO/C(=C(\[Se+](C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium?
The InChIKey is NDJVVASZWBZXPA-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H31OPSe/c1-4-31-29(25-17-9-5-10-18-25)30(33(2)3)32(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,4H2,1-3H3/q+2/b30-29-.
What are the key properties of [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium?
[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium has a molecular weight of 517.51 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium is sourced from PubChem (CID 23268007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).