3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane

C13H24O3 — CID 150843093

IUPAC3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane
SMILESCCC1(COCOC2CCCCC2)COC1
InChIInChI=1S/C13H24O3/c1-2-13(8-14-9-13)10-15-11-16-12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyKOKLZECIQSHCOX-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.74
Rot. Bonds6

About 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane

3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane (PubChem CID 150843093) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane
PubChem CID150843093
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane
SMILESCCC1(COCOC2CCCCC2)COC1
InChIInChI=1S/C13H24O3/c1-2-13(8-14-9-13)10-15-11-16-12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyKOKLZECIQSHCOX-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(cyclohexyloxymethoxymethyl)-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-(cyclohexyloxymethoxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane (CID 150843093) is 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane is CCC1(COCOC2CCCCC2)COC1.
What is the InChIKey of 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane?
The InChIKey is KOKLZECIQSHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-13(8-14-9-13)10-15-11-16-12-6-4-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane?
3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane has a molecular weight of 228.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 150843093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).