3-(cyclohexylmethoxymethyl)oxane

C13H24O2 — CID 20648878

IUPAC3-(cyclohexylmethoxymethyl)oxane
SMILESC1CCC(COCC2CCCOC2)CC1
InChIInChI=1S/C13H24O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h12-13H,1-11H2
InChIKeyUUOWYTUZCTXZPL-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.01
Rot. Bonds4

About 3-(cyclohexylmethoxymethyl)oxane

3-(cyclohexylmethoxymethyl)oxane (PubChem CID 20648878) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(cyclohexylmethoxymethyl)oxane.

Molecular Properties

Compound Name3-(cyclohexylmethoxymethyl)oxane
PubChem CID20648878
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(cyclohexylmethoxymethyl)oxane
SMILESC1CCC(COCC2CCCOC2)CC1
InChIInChI=1S/C13H24O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h12-13H,1-11H2
InChIKeyUUOWYTUZCTXZPL-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylmethoxymethyl)oxane 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-(cyclohexylmethoxymethyl)oxane?
The IUPAC name of 3-(cyclohexylmethoxymethyl)oxane (CID 20648878) is 3-(cyclohexylmethoxymethyl)oxane.
What is the SMILES notation for 3-(cyclohexylmethoxymethyl)oxane?
The canonical SMILES for 3-(cyclohexylmethoxymethyl)oxane is C1CCC(COCC2CCCOC2)CC1.
What is the InChIKey of 3-(cyclohexylmethoxymethyl)oxane?
The InChIKey is UUOWYTUZCTXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h12-13H,1-11H2.
What are the key properties of 3-(cyclohexylmethoxymethyl)oxane?
3-(cyclohexylmethoxymethyl)oxane has a molecular weight of 212.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxymethyl)oxane is sourced from PubChem (CID 20648878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).