3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane

C13H24O3 — CID 141308765

IUPAC3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane
SMILESCCCC=COCCOCC1(CC)COC1
InChIInChI=1S/C13H24O3/c1-3-5-6-7-14-8-9-15-10-13(4-2)11-16-12-13/h6-7H,3-5,8-12H2,1-2H3
InChIKeyIQTJVSOOKNCYPJ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.76
Rot. Bonds9

About 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane

3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane (PubChem CID 141308765) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane
PubChem CID141308765
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane
SMILESCCCC=COCCOCC1(CC)COC1
InChIInChI=1S/C13H24O3/c1-3-5-6-7-14-8-9-15-10-13(4-2)11-16-12-13/h6-7H,3-5,8-12H2,1-2H3
InChIKeyIQTJVSOOKNCYPJ-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane (CID 141308765) is 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane is CCCC=COCCOCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane?
The InChIKey is IQTJVSOOKNCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-14-8-9-15-10-13(4-2)11-16-12-13/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane?
3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane has a molecular weight of 228.33 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-pent-1-enoxyethoxymethyl)oxetane is sourced from PubChem (CID 141308765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).