1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate

C11H18O5 — CID 3086961

IUPAC1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=COCCOCCOC(C)OC(=O)C=C
InChIInChI=1S/C11H18O5/c1-4-11(12)16-10(3)15-9-8-14-7-6-13-5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyCYZIEUUDPGZPSX-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.25
Rot. Bonds10

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

1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 3086961) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate
PubChem CID3086961
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=COCCOCCOC(C)OC(=O)C=C
InChIInChI=1S/C11H18O5/c1-4-11(12)16-10(3)15-9-8-14-7-6-13-5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyCYZIEUUDPGZPSX-UHFFFAOYSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate (CID 3086961) is 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate is C=COCCOCCOC(C)OC(=O)C=C.
What is the InChIKey of 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is CYZIEUUDPGZPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-11(12)16-10(3)15-9-8-14-7-6-13-5-2/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate?
1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 1.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethenoxyethoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 3086961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).