tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide

C18H36IO2P — CID 22119382

IUPACtributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide
SMILESC=C(C)C(=O)OCC[P+](CCCC)(CCCC)CCCC.[I-]
InChIInChI=1S/C18H36O2P.HI/c1-6-9-13-21(14-10-7-2,15-11-8-3)16-12-20-18(19)17(4)5;/h4,6-16H2,1-3,5H3;1H/q+1;/p-1
InChIKeyTVKQGYCNSRBDRH-UHFFFAOYSA-M
MW442.36 g/mol
LogP2.53
Rot. Bonds13

About tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide

tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide (PubChem CID 22119382) has the molecular formula C18H36IO2P and a molecular weight of 442.36 g/mol. Its IUPAC name is tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide.

Molecular Properties

Compound Nametributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide
PubChem CID22119382
Molecular FormulaC18H36IO2P
Molecular Weight442.36 g/mol
Exact Mass442.15
IUPAC Nametributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide
SMILESC=C(C)C(=O)OCC[P+](CCCC)(CCCC)CCCC.[I-]
InChIInChI=1S/C18H36O2P.HI/c1-6-9-13-21(14-10-7-2,15-11-8-3)16-12-20-18(19)17(4)5;/h4,6-16H2,1-3,5H3;1H/q+1;/p-1
InChIKeyTVKQGYCNSRBDRH-UHFFFAOYSA-M
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 20776618
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;ethene
CID 158758814
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;tributyl(hexyl)phosphanium
CID 161217318
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide?
The IUPAC name of tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide (CID 22119382) is tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide.
What is the SMILES notation for tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide?
The canonical SMILES for tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide is C=C(C)C(=O)OCC[P+](CCCC)(CCCC)CCCC.[I-].
What is the InChIKey of tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide?
The InChIKey is TVKQGYCNSRBDRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2P.HI/c1-6-9-13-21(14-10-7-2,15-11-8-3)16-12-20-18(19)17(4)5;/h4,6-16H2,1-3,5H3;1H/q+1;/p-1.
What are the key properties of tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide?
tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide has a molecular weight of 442.36 g/mol, XLogP of 2.53, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium iodide is sourced from PubChem (CID 22119382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).