(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium

C24H25NO3P+ — CID 53396364

IUPAC(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
SMILESCCOC(=O)C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=NOC
InChIInChI=1S/C24H25NO3P/c1-3-28-24(26)23(25-27-2)19-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3,19H2,1-2H3/q+1
InChIKeyQTZYCIYEPJENBZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.55
Rot. Bonds8

About (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium

(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium (PubChem CID 53396364) has the molecular formula C24H25NO3P+ and a molecular weight of 406.44 g/mol. Its IUPAC name is (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium.

Molecular Properties

Compound Name(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
PubChem CID53396364
Molecular FormulaC24H25NO3P+
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
SMILESCCOC(=O)C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=NOC
InChIInChI=1S/C24H25NO3P/c1-3-28-24(26)23(25-27-2)19-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3,19H2,1-2H3/q+1
InChIKeyQTZYCIYEPJENBZ-UHFFFAOYSA-N
XLogP3.55
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-ethoxy-2,3-dioxopropyl)-triphenylphosphanium bromide
CID 2773638
ethyl 2-methoxyimino-3-tritylsulfanylpropanoate
CID 118021802
(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate
CID 12548333
ethyl 2-phenyliminobutanoate
CID 158237119
ethyl 2-methoxyimino-4-oxobutanoate
CID 87332904
[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
CID 23119083
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
CID 58085087
ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium?
The IUPAC name of (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium (CID 53396364) is (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium.
What is the SMILES notation for (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium?
The canonical SMILES for (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium is CCOC(=O)C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=NOC.
What is the InChIKey of (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium?
The InChIKey is QTZYCIYEPJENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3P/c1-3-28-24(26)23(25-27-2)19-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3,19H2,1-2H3/q+1.
What are the key properties of (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium?
(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium has a molecular weight of 406.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium is sourced from PubChem (CID 53396364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).