2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate

C9H16INO4 — CID 146532841

IUPAC2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC(I)CN
InChIInChI=1S/C9H16INO4/c1-2-9(12)15-6-4-13-3-5-14-8(10)7-11/h2,8H,1,3-7,11H2
InChIKeyZVQRDQMTUWGXTN-UHFFFAOYSA-N
MW329.13 g/mol
LogP0.47
Rot. Bonds9

About 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate

2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 146532841) has the molecular formula C9H16INO4 and a molecular weight of 329.13 g/mol. Its IUPAC name is 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate
PubChem CID146532841
Molecular FormulaC9H16INO4
Molecular Weight329.13 g/mol
Exact Mass329.01
IUPAC Name2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC(I)CN
InChIInChI=1S/C9H16INO4/c1-2-9(12)15-6-4-13-3-5-14-8(10)7-11/h2,8H,1,3-7,11H2
InChIKeyZVQRDQMTUWGXTN-UHFFFAOYSA-N
XLogP0.47
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 50.47
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'}

Analyze 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate 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

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
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 89425808
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
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
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
CID 176551024
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate (CID 146532841) is 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOC(I)CN.
What is the InChIKey of 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is ZVQRDQMTUWGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO4/c1-2-9(12)15-6-4-13-3-5-14-8(10)7-11/h2,8H,1,3-7,11H2.
What are the key properties of 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate?
2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 329.13 g/mol, XLogP of 0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 146532841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).