[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate

C15H26NO6P — CID 87864558

IUPAC[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCP(O)C(=O)C[N+](C)(C)C.C=C(C)C(=O)[O-]
InChIInChI=1S/C11H21NO4P.C4H6O2/c1-9(2)11(14)16-6-7-17(15)10(13)8-12(3,4)5;1-3(2)4(5)6/h15H,1,6-8H2,2-5H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyKLPDYDPVFXCYQG-UHFFFAOYSA-M
MW347.35 g/mol
LogP0.04
Rot. Bonds8

About [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate

[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate (PubChem CID 87864558) has the molecular formula C15H26NO6P and a molecular weight of 347.35 g/mol. Its IUPAC name is [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate
PubChem CID87864558
Molecular FormulaC15H26NO6P
Molecular Weight347.35 g/mol
Exact Mass347.15
IUPAC Name[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCP(O)C(=O)C[N+](C)(C)C.C=C(C)C(=O)[O-]
InChIInChI=1S/C11H21NO4P.C4H6O2/c1-9(2)11(14)16-6-7-17(15)10(13)8-12(3,4)5;1-3(2)4(5)6/h15H,1,6-8H2,2-5H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyKLPDYDPVFXCYQG-UHFFFAOYSA-M
XLogP0.04
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

butyl 2-methylprop-2-enoate;[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium
CID 87724338
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]ethyl 2-methylprop-2-enoate
CID 141098412
hexadecyl 2-methylprop-2-enoate;2-methylprop-2-enoate
CID 19816604
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
CID 90103632
CID 90103632
[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl]-trimethylazanium bromide
CID 140876303
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate?
The IUPAC name of [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate (CID 87864558) is [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate.
What is the SMILES notation for [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate?
The canonical SMILES for [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate is C=C(C)C(=O)OCCP(O)C(=O)C[N+](C)(C)C.C=C(C)C(=O)[O-].
What is the InChIKey of [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate?
The InChIKey is KLPDYDPVFXCYQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO4P.C4H6O2/c1-9(2)11(14)16-6-7-17(15)10(13)8-12(3,4)5;1-3(2)4(5)6/h15H,1,6-8H2,2-5H3;1H2,2H3,(H,5,6)/q+1;/p-1.
What are the key properties of [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate?
[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate has a molecular weight of 347.35 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate is sourced from PubChem (CID 87864558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).