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

C10H21NO6P+ — CID 143475819

IUPAC2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
SMILESC=C(C)C(=O)OCCOP(=O)(O)OCC[NH+](C)C
InChIInChI=1S/C10H20NO6P/c1-9(2)10(12)15-7-8-17-18(13,14)16-6-5-11(3)4/h1,5-8H2,2-4H3,(H,13,14)/p+1
InChIKeyXAMNQEGHJKXNDA-UHFFFAOYSA-O
MW282.25 g/mol
LogP-0.62
Rot. Bonds9

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

2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium (PubChem CID 143475819) has the molecular formula C10H21NO6P+ and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
PubChem CID143475819
Molecular FormulaC10H21NO6P+
Molecular Weight282.25 g/mol
Exact Mass282.11
IUPAC Name2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
SMILESC=C(C)C(=O)OCCOP(=O)(O)OCC[NH+](C)C
InChIInChI=1S/C10H20NO6P/c1-9(2)10(12)15-7-8-17-18(13,14)16-6-5-11(3)4/h1,5-8H2,2-4H3,(H,13,14)/p+1
InChIKeyXAMNQEGHJKXNDA-UHFFFAOYSA-O
XLogP-0.62
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium
CID 177020326
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
triethyl-[4-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxybutyl]azanium
CID 87833257
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
CID 175167107

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium?
The IUPAC name of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium (CID 143475819) is 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium.
What is the SMILES notation for 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium?
The canonical SMILES for 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium is C=C(C)C(=O)OCCOP(=O)(O)OCC[NH+](C)C.
What is the InChIKey of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium?
The InChIKey is XAMNQEGHJKXNDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20NO6P/c1-9(2)10(12)15-7-8-17-18(13,14)16-6-5-11(3)4/h1,5-8H2,2-4H3,(H,13,14)/p+1.
What are the key properties of 2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium?
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium has a molecular weight of 282.25 g/mol, XLogP of -0.62, 9 rotatable bonds, 2 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-dimethylazanium is sourced from PubChem (CID 143475819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).