3-(8-bromooctoxymethyl)-3-ethyloxetane

C14H27BrO2 — CID 59711298

IUPAC3-(8-bromooctoxymethyl)-3-ethyloxetane
SMILESCCC1(COCCCCCCCCBr)COC1
InChIInChI=1S/C14H27BrO2/c1-2-14(12-17-13-14)11-16-10-8-6-4-3-5-7-9-15/h2-13H2,1H3
InChIKeyFRXZHRUDYOHBGJ-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.17
Rot. Bonds11

About 3-(8-bromooctoxymethyl)-3-ethyloxetane

3-(8-bromooctoxymethyl)-3-ethyloxetane (PubChem CID 59711298) has the molecular formula C14H27BrO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 3-(8-bromooctoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(8-bromooctoxymethyl)-3-ethyloxetane
PubChem CID59711298
Molecular FormulaC14H27BrO2
Molecular Weight307.27 g/mol
Exact Mass306.12
IUPAC Name3-(8-bromooctoxymethyl)-3-ethyloxetane
SMILESCCC1(COCCCCCCCCBr)COC1
InChIInChI=1S/C14H27BrO2/c1-2-14(12-17-13-14)11-16-10-8-6-4-3-5-7-9-15/h2-13H2,1H3
InChIKeyFRXZHRUDYOHBGJ-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(8-bromooctoxymethyl)-3-ethyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(8-bromooctoxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(8-bromooctoxymethyl)-3-ethyloxetane (CID 59711298) is 3-(8-bromooctoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(8-bromooctoxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(8-bromooctoxymethyl)-3-ethyloxetane is CCC1(COCCCCCCCCBr)COC1.
What is the InChIKey of 3-(8-bromooctoxymethyl)-3-ethyloxetane?
The InChIKey is FRXZHRUDYOHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO2/c1-2-14(12-17-13-14)11-16-10-8-6-4-3-5-7-9-15/h2-13H2,1H3.
What are the key properties of 3-(8-bromooctoxymethyl)-3-ethyloxetane?
3-(8-bromooctoxymethyl)-3-ethyloxetane has a molecular weight of 307.27 g/mol, XLogP of 4.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromooctoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 59711298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).