2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane

C9H16O4 — CID 11332926

IUPAC2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane
SMILESC=COCCOCCOCC1CO1
InChIInChI=1S/C9H16O4/c1-2-10-3-4-11-5-6-12-7-9-8-13-9/h2,9H,1,3-8H2
InChIKeyZZUOMIBQIZYSJM-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.58
Rot. Bonds9

About 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane

2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane (PubChem CID 11332926) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane
PubChem CID11332926
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane
SMILESC=COCCOCCOCC1CO1
InChIInChI=1S/C9H16O4/c1-2-10-3-4-11-5-6-12-7-9-8-13-9/h2,9H,1,3-8H2
InChIKeyZZUOMIBQIZYSJM-UHFFFAOYSA-N
XLogP0.58
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane (CID 11332926) is 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane is C=COCCOCCOCC1CO1.
What is the InChIKey of 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane?
The InChIKey is ZZUOMIBQIZYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-10-3-4-11-5-6-12-7-9-8-13-9/h2,9H,1,3-8H2.
What are the key properties of 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane?
2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane has a molecular weight of 188.22 g/mol, XLogP of 0.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenoxyethoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 11332926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).