sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate

C11H20NaO9P — CID 172740430

IUPACsodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
SMILESC=CC(=O)OCCOCCOCCOCCOP(=O)([O-])O.[Na+]
InChIInChI=1S/C11H21O9P.Na/c1-2-11(12)19-9-7-17-5-3-16-4-6-18-8-10-20-21(13,14)15;/h2H,1,3-10H2,(H2,13,14,15);/q;+1/p-1
InChIKeyJAFTXEDQZAOTQR-UHFFFAOYSA-M
MW350.24 g/mol
LogP-3.75
Rot. Bonds14

About sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate

sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate (PubChem CID 172740430) has the molecular formula C11H20NaO9P and a molecular weight of 350.24 g/mol. Its IUPAC name is sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate.

Molecular Properties

Compound Namesodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
PubChem CID172740430
Molecular FormulaC11H20NaO9P
Molecular Weight350.24 g/mol
Exact Mass350.07
IUPAC Namesodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
SMILESC=CC(=O)OCCOCCOCCOCCOP(=O)([O-])O.[Na+]
InChIInChI=1S/C11H21O9P.Na/c1-2-11(12)19-9-7-17-5-3-16-4-6-18-8-10-20-21(13,14)15;/h2H,1,3-10H2,(H2,13,14,15);/q;+1/p-1
InChIKeyJAFTXEDQZAOTQR-UHFFFAOYSA-M
XLogP-3.75
TPSA123.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 5-3.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

magnesium 2-prop-2-enoyloxyethyl phosphate
CID 174879443
bis(2-prop-2-enoyloxyethyl) phosphate
CID 22226175
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
CID 87504188
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-prop-2-enoyloxyethyl (trimethylazaniumyl) phosphate
CID 137354332
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
The IUPAC name of sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate (CID 172740430) is sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate.
What is the SMILES notation for sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
The canonical SMILES for sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate is C=CC(=O)OCCOCCOCCOCCOP(=O)([O-])O.[Na+].
What is the InChIKey of sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
The InChIKey is JAFTXEDQZAOTQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21O9P.Na/c1-2-11(12)19-9-7-17-5-3-16-4-6-18-8-10-20-21(13,14)15;/h2H,1,3-10H2,(H2,13,14,15);/q;+1/p-1.
What are the key properties of sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate has a molecular weight of 350.24 g/mol, XLogP of -3.75, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate is sourced from PubChem (CID 172740430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).