2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium

C11H23INO6P — CID 177020326

IUPAC2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium
SMILESC=C(C)C(=O)OCCOP(=O)(O)OCC[N+](C)(C)[I-]C
InChIInChI=1S/C11H23INO6P/c1-10(2)11(14)17-8-9-19-20(15,16)18-7-6-13(4,5)12-3/h1,6-9H2,2-5H3,(H,15,16)
InChIKeyPNYLSHXDKOJPEL-UHFFFAOYSA-N
MW423.18 g/mol
LogP-2.05
Rot. Bonds10

About 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium

2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium (PubChem CID 177020326) has the molecular formula C11H23INO6P and a molecular weight of 423.18 g/mol. Its IUPAC name is 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium.

Molecular Properties

Compound Name2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium
PubChem CID177020326
Molecular FormulaC11H23INO6P
Molecular Weight423.18 g/mol
Exact Mass423.03
IUPAC Name2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium
SMILESC=C(C)C(=O)OCCOP(=O)(O)OCC[N+](C)(C)[I-]C
InChIInChI=1S/C11H23INO6P/c1-10(2)11(14)17-8-9-19-20(15,16)18-7-6-13(4,5)12-3/h1,6-9H2,2-5H3,(H,15,16)
InChIKeyPNYLSHXDKOJPEL-UHFFFAOYSA-N
XLogP-2.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(2-methoxyethoxy)phosphoryl]oxyethyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 89310948
2-[hydroxy-[5-(2-methylprop-2-enoyloxy)pentoxy]phosphoryl]oxyethyl-trimethylazanium
CID 19378254
2-[hydroxy(2-methylprop-2-enoyloxymethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 59319478
2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
triethyl-[4-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxybutyl]azanium
CID 87833257
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
CID 143475819
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
butyl 2-methylprop-2-enoate;2-[ethoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium;hydrate
CID 174822784
2-[bis[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]ethoxy]phosphoryloxy]ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 139511941
triethyl-[3-[hydroxy-[4-(2-methylprop-2-enoyloxy)butoxy]phosphoryl]oxypropyl]azanium
CID 87835424

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium?
The IUPAC name of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium (CID 177020326) is 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium.
What is the SMILES notation for 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium?
The canonical SMILES for 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium is C=C(C)C(=O)OCCOP(=O)(O)OCC[N+](C)(C)[I-]C.
What is the InChIKey of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium?
The InChIKey is PNYLSHXDKOJPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23INO6P/c1-10(2)11(14)17-8-9-19-20(15,16)18-7-6-13(4,5)12-3/h1,6-9H2,2-5H3,(H,15,16).
What are the key properties of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium?
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium has a molecular weight of 423.18 g/mol, XLogP of -2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium is sourced from PubChem (CID 177020326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).