ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate

C12H22O6 — CID 174610941

IUPACethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=COCCOCCOCCO
InChIInChI=1S/C12H22O6/c1-3-18-12(14)11(2)10-17-9-8-16-7-6-15-5-4-13/h10,13H,3-9H2,1-2H3
InChIKeySSQUVEMPJSNGFJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.50
Rot. Bonds11

About ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate

ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate (PubChem CID 174610941) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
PubChem CID174610941
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Nameethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=COCCOCCOCCO
InChIInChI=1S/C12H22O6/c1-3-18-12(14)11(2)10-17-9-8-16-7-6-15-5-4-13/h10,13H,3-9H2,1-2H3
InChIKeySSQUVEMPJSNGFJ-UHFFFAOYSA-N
XLogP0.50
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-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

dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 123232921
dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
CID 123776236
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate
CID 175021511
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 174813334
ethyl N-ethylcarbamate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 163439656
ethyl 2-methyl-3-(2-oxo-3-sulfanylpropoxy)prop-2-enoate
CID 175353840

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate (CID 174610941) is ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate is CCOC(=O)C(C)=COCCOCCOCCO.
What is the InChIKey of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
The InChIKey is SSQUVEMPJSNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-3-18-12(14)11(2)10-17-9-8-16-7-6-15-5-4-13/h10,13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate has a molecular weight of 262.30 g/mol, XLogP of 0.50, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate is sourced from PubChem (CID 174610941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).