tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride

C17H34ClO2P — CID 11221390

IUPACtributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
SMILESC=CC(=O)OCC[P+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C17H34O2P.ClH/c1-5-9-13-20(14-10-6-2,15-11-7-3)16-12-19-17(18)8-4;/h8H,4-7,9-16H2,1-3H3;1H/q+1;/p-1
InChIKeyRYLSKGPZTKOJLC-UHFFFAOYSA-M
MW336.88 g/mol
LogP2.14
Rot. Bonds13

About tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride

tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride (PubChem CID 11221390) has the molecular formula C17H34ClO2P and a molecular weight of 336.88 g/mol. Its IUPAC name is tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride.

Molecular Properties

Compound Nametributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
PubChem CID11221390
Molecular FormulaC17H34ClO2P
Molecular Weight336.88 g/mol
Exact Mass336.20
IUPAC Nametributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
SMILESC=CC(=O)OCC[P+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C17H34O2P.ClH/c1-5-9-13-20(14-10-6-2,15-11-7-3)16-12-19-17(18)8-4;/h8H,4-7,9-16H2,1-3H3;1H/q+1;/p-1
InChIKeyRYLSKGPZTKOJLC-UHFFFAOYSA-M
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.88
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride 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

tributyl(4-prop-2-enoyloxybutyl)phosphanium
CID 18779276
4-hydroxyoctyl prop-2-enoate
CID 142754995
tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 20776618
tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate
CID 139819065
tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide
CID 22119382
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
pentatriacontyl prop-2-enoate
CID 141309454
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride?
The IUPAC name of tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride (CID 11221390) is tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride.
What is the SMILES notation for tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride?
The canonical SMILES for tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride is C=CC(=O)OCC[P+](CCCC)(CCCC)CCCC.[Cl-].
What is the InChIKey of tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride?
The InChIKey is RYLSKGPZTKOJLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H34O2P.ClH/c1-5-9-13-20(14-10-6-2,15-11-7-3)16-12-19-17(18)8-4;/h8H,4-7,9-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride?
tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride has a molecular weight of 336.88 g/mol, XLogP of 2.14, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride is sourced from PubChem (CID 11221390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).