bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium

C16H26O5P+ — CID 22140109

IUPACbis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
SMILESCCC(CC)=C(C)C(=O)O[P+](=O)OC(=O)C(C)=C(CC)CC
InChIInChI=1S/C16H26O5P/c1-7-13(8-2)11(5)15(17)20-22(19)21-16(18)12(6)14(9-3)10-4/h7-10H2,1-6H3/q+1
InChIKeySLUKNHKUIXKMIJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP5.00
Rot. Bonds8

About bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium

bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium (PubChem CID 22140109) has the molecular formula C16H26O5P+ and a molecular weight of 329.35 g/mol. Its IUPAC name is bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
PubChem CID22140109
Molecular FormulaC16H26O5P+
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Namebis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
SMILESCCC(CC)=C(C)C(=O)O[P+](=O)OC(=O)C(C)=C(CC)CC
InChIInChI=1S/C16H26O5P/c1-7-13(8-2)11(5)15(17)20-22(19)21-16(18)12(6)14(9-3)10-4/h7-10H2,1-6H3/q+1
InChIKeySLUKNHKUIXKMIJ-UHFFFAOYSA-N
XLogP5.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-2-methylpent-2-enoyl)oxy-hydroxy-oxophosphanium
CID 87142301
phosphono 3-ethyl-2-methylpent-2-enoate
CID 154158605
bis(2-methylprop-2-enoyloxy)-oxophosphanium
CID 87559559
bis(but-1-en-2-yloxy)-oxophosphanium
CID 87234999
phenyl 3-ethyl-2-methylpent-2-eneperoxoate
CID 151093532
diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate
CID 57180067
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
bis[2-(bromomethylidene)hexadecanoyloxy]-oxophosphanium
CID 173033020
octyl 3-ethyl-2-methylhex-2-enoate
CID 175495245
butyl 3-ethyl-2-methylundec-2-enoate
CID 175495316
acetic acid;diethyl(oxo)phosphanium
CID 175760188
acetyl 2-acetyl-3-ethylpent-2-enoate;methanol
CID 174522658

Frequently Asked Questions

What is the IUPAC name of bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium?
The IUPAC name of bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium (CID 22140109) is bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium.
What is the SMILES notation for bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium?
The canonical SMILES for bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium is CCC(CC)=C(C)C(=O)O[P+](=O)OC(=O)C(C)=C(CC)CC.
What is the InChIKey of bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium?
The InChIKey is SLUKNHKUIXKMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5P/c1-7-13(8-2)11(5)15(17)20-22(19)21-16(18)12(6)14(9-3)10-4/h7-10H2,1-6H3/q+1.
What are the key properties of bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium?
bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium has a molecular weight of 329.35 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium is sourced from PubChem (CID 22140109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).