trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium

C10H21NO4P+ — CID 16686360

IUPACtrimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium
SMILESC=CC(=O)OCCOPOCC[N+](C)(C)C
InChIInChI=1S/C10H21NO4P/c1-5-10(12)13-8-9-15-16-14-7-6-11(2,3)4/h5,16H,1,6-9H2,2-4H3/q+1
InChIKeyCULCJCJSNDDOAW-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.96
Rot. Bonds9

About trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium

trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium (PubChem CID 16686360) has the molecular formula C10H21NO4P+ and a molecular weight of 250.25 g/mol. Its IUPAC name is trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium
PubChem CID16686360
Molecular FormulaC10H21NO4P+
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Nametrimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium
SMILESC=CC(=O)OCCOPOCC[N+](C)(C)C
InChIInChI=1S/C10H21NO4P/c1-5-10(12)13-8-9-15-16-14-7-6-11(2,3)4/h5,16H,1,6-9H2,2-4H3/q+1
InChIKeyCULCJCJSNDDOAW-UHFFFAOYSA-N
XLogP0.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium?
The IUPAC name of trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium (CID 16686360) is trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium is C=CC(=O)OCCOPOCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium?
The InChIKey is CULCJCJSNDDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4P/c1-5-10(12)13-8-9-15-16-14-7-6-11(2,3)4/h5,16H,1,6-9H2,2-4H3/q+1.
What are the key properties of trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium?
trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium has a molecular weight of 250.25 g/mol, XLogP of 0.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium is sourced from PubChem (CID 16686360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).