prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate

C8H18NO4P — CID 11535902

IUPACprop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESC=CCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C8H18NO4P/c1-5-7-12-14(10,11)13-8-6-9(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyDAJOGJKFUNIVKY-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.38
Rot. Bonds7

About prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate

prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate (PubChem CID 11535902) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate.

Molecular Properties

Compound Nameprop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID11535902
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Nameprop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESC=CCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C8H18NO4P/c1-5-7-12-14(10,11)13-8-6-9(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyDAJOGJKFUNIVKY-UHFFFAOYSA-N
XLogP0.38
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate 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

32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
[(2R)-2-hydroperoxy-3-prop-2-enoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 87170931
2-prop-2-enoyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 87338155
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
[(E)-but-1-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 11673127
2-[hydroxy(2-prop-2-enoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 22568162
[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922700
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
CID 88639643

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate?
The IUPAC name of prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate (CID 11535902) is prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate.
What is the SMILES notation for prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate?
The canonical SMILES for prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate is C=CCOP(=O)([O-])OCC[N+](C)(C)C.
What is the InChIKey of prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate?
The InChIKey is DAJOGJKFUNIVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-5-7-12-14(10,11)13-8-6-9(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate?
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate has a molecular weight of 223.21 g/mol, XLogP of 0.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate is sourced from PubChem (CID 11535902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).