1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate

C10H16O5 — CID 12963103

IUPAC1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OCCOCC1CO1
InChIInChI=1S/C10H16O5/c1-3-10(11)15-8(2)13-5-4-12-6-9-7-14-9/h3,8-9H,1,4-7H2,2H3
InChIKeyYMWDLMVPRIJLHM-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.49
Rot. Bonds8

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

1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 12963103) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate
PubChem CID12963103
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OCCOCC1CO1
InChIInChI=1S/C10H16O5/c1-3-10(11)15-8(2)13-5-4-12-6-9-7-14-9/h3,8-9H,1,4-7H2,2H3
InChIKeyYMWDLMVPRIJLHM-UHFFFAOYSA-N
XLogP0.49
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate (CID 12963103) is 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OC(C)OCCOCC1CO1.
What is the InChIKey of 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is YMWDLMVPRIJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-10(11)15-8(2)13-5-4-12-6-9-7-14-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate?
1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 0.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 12963103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).