2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium

C15H31NO7P+ — CID 175135780

IUPAC2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium
SMILESC=CC(=O)OCCOCCOC(C)CP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C15H30NO7P/c1-6-15(17)22-12-10-20-9-11-21-14(2)13-24(18,19)23-8-7-16(3,4)5/h6,14H,1,7-13H2,2-5H3/p+1
InChIKeySNCXOKOSNFWDFW-UHFFFAOYSA-O
MW368.39 g/mol
LogP1.05
Rot. Bonds14

About 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium (PubChem CID 175135780) has the molecular formula C15H31NO7P+ and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium
PubChem CID175135780
Molecular FormulaC15H31NO7P+
Molecular Weight368.39 g/mol
Exact Mass368.18
IUPAC Name2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium
SMILESC=CC(=O)OCCOCCOC(C)CP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C15H30NO7P/c1-6-15(17)22-12-10-20-9-11-21-14(2)13-24(18,19)23-8-7-16(3,4)5/h6,14H,1,7-13H2,2-5H3/p+1
InChIKeySNCXOKOSNFWDFW-UHFFFAOYSA-O
XLogP1.05
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium 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

ethyl dihydrogen phosphate;trimethyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium
CID 175228586
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphoryl]oxyethyl-trimethylazanium
CID 175314160
2-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87337635
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
CID 59153667
trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium
CID 16686360
2-prop-2-enoyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 87338155
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
CID 87504188
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium (CID 175135780) is 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium is C=CC(=O)OCCOCCOC(C)CP(=O)(O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is SNCXOKOSNFWDFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H30NO7P/c1-6-15(17)22-12-10-20-9-11-21-14(2)13-24(18,19)23-8-7-16(3,4)5/h6,14H,1,7-13H2,2-5H3/p+1.
What are the key properties of 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 368.39 g/mol, XLogP of 1.05, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 175135780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).