3-ethyl-3-octoxyoxetane

C13H26O2 — CID 58544568

IUPAC3-ethyl-3-octoxyoxetane
SMILESCCCCCCCCOC1(CC)COC1
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-15-13(4-2)11-14-12-13/h3-12H2,1-2H3
InChIKeyBWCNFBDESQFUSV-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.54
Rot. Bonds9

About 3-ethyl-3-octoxyoxetane

3-ethyl-3-octoxyoxetane (PubChem CID 58544568) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethyl-3-octoxyoxetane.

Molecular Properties

Compound Name3-ethyl-3-octoxyoxetane
PubChem CID58544568
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-ethyl-3-octoxyoxetane
SMILESCCCCCCCCOC1(CC)COC1
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-15-13(4-2)11-14-12-13/h3-12H2,1-2H3
InChIKeyBWCNFBDESQFUSV-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-octoxyoxetane?
The IUPAC name of 3-ethyl-3-octoxyoxetane (CID 58544568) is 3-ethyl-3-octoxyoxetane.
What is the SMILES notation for 3-ethyl-3-octoxyoxetane?
The canonical SMILES for 3-ethyl-3-octoxyoxetane is CCCCCCCCOC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-octoxyoxetane?
The InChIKey is BWCNFBDESQFUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-15-13(4-2)11-14-12-13/h3-12H2,1-2H3.
What are the key properties of 3-ethyl-3-octoxyoxetane?
3-ethyl-3-octoxyoxetane has a molecular weight of 214.35 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-octoxyoxetane is sourced from PubChem (CID 58544568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).