2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate

C10H18O5 — CID 3016467

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCCOC
InChIInChI=1S/C10H18O5/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h3H,1,4-9H2,2H3
InChIKeyNMLCFUMBGQIRJX-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.40
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 3016467) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate
PubChem CID3016467
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCCOC
InChIInChI=1S/C10H18O5/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h3H,1,4-9H2,2H3
InChIKeyNMLCFUMBGQIRJX-UHFFFAOYSA-N
XLogP0.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate (CID 3016467) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is NMLCFUMBGQIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h3H,1,4-9H2,2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 0.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 3016467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).