2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane

C12H22O4 — CID 25090835

IUPAC2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane
SMILESCCC(COCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C12H22O4/c1-3-10(4-13-5-11-7-15-11)9(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3
InChIKeyFMKAXGJCDNYUSO-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.23
Rot. Bonds9

About 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane

2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane (PubChem CID 25090835) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane
PubChem CID25090835
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane
SMILESCCC(COCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C12H22O4/c1-3-10(4-13-5-11-7-15-11)9(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3
InChIKeyFMKAXGJCDNYUSO-UHFFFAOYSA-N
XLogP1.23
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane?
The IUPAC name of 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane (CID 25090835) is 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane is CCC(COCC1CO1)C(C)OCC1CO1.
What is the InChIKey of 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane?
The InChIKey is FMKAXGJCDNYUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-10(4-13-5-11-7-15-11)9(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane?
2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane has a molecular weight of 230.30 g/mol, XLogP of 1.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-3-(oxiran-2-ylmethoxy)butoxy]methyl]oxirane is sourced from PubChem (CID 25090835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).