trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium

C11H22NO4P+2 — CID 18510010

IUPACtrimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium
SMILESC=C(C)C(=O)OCC[P+](=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO4P/c1-10(2)11(13)15-8-9-17(14)16-7-6-12(3,4)5/h1,6-9H2,2-5H3/q+2
InChIKeyPBYZKYFASQBKBQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.57
Rot. Bonds8

About trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium

trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium (PubChem CID 18510010) has the molecular formula C11H22NO4P+2 and a molecular weight of 263.27 g/mol. Its IUPAC name is trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium
PubChem CID18510010
Molecular FormulaC11H22NO4P+2
Molecular Weight263.27 g/mol
Exact Mass263.13
IUPAC Nametrimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium
SMILESC=C(C)C(=O)OCC[P+](=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO4P/c1-10(2)11(13)15-8-9-17(14)16-7-6-12(3,4)5/h1,6-9H2,2-5H3/q+2
InChIKeyPBYZKYFASQBKBQ-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium?
The IUPAC name of trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium (CID 18510010) is trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium is C=C(C)C(=O)OCC[P+](=O)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium?
The InChIKey is PBYZKYFASQBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO4P/c1-10(2)11(13)15-8-9-17(14)16-7-6-12(3,4)5/h1,6-9H2,2-5H3/q+2.
What are the key properties of trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium?
trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium has a molecular weight of 263.27 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium is sourced from PubChem (CID 18510010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).