3-cyclohexyloxy-2-ethyl-2-methyloxetane

C12H22O2 — CID 151489410

IUPAC3-cyclohexyloxy-2-ethyl-2-methyloxetane
SMILESCCC1(C)OCC1OC1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-12(2)11(9-13-12)14-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyPODMUKAQKITADH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.90
Rot. Bonds3

About 3-cyclohexyloxy-2-ethyl-2-methyloxetane

3-cyclohexyloxy-2-ethyl-2-methyloxetane (PubChem CID 151489410) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cyclohexyloxy-2-ethyl-2-methyloxetane.

Molecular Properties

Compound Name3-cyclohexyloxy-2-ethyl-2-methyloxetane
PubChem CID151489410
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-cyclohexyloxy-2-ethyl-2-methyloxetane
SMILESCCC1(C)OCC1OC1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-12(2)11(9-13-12)14-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyPODMUKAQKITADH-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyloxy-2-ethyl-2-methyloxetane 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-cyclohexyloxy-2-ethyl-2-methyloxetane?
The IUPAC name of 3-cyclohexyloxy-2-ethyl-2-methyloxetane (CID 151489410) is 3-cyclohexyloxy-2-ethyl-2-methyloxetane.
What is the SMILES notation for 3-cyclohexyloxy-2-ethyl-2-methyloxetane?
The canonical SMILES for 3-cyclohexyloxy-2-ethyl-2-methyloxetane is CCC1(C)OCC1OC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-2-ethyl-2-methyloxetane?
The InChIKey is PODMUKAQKITADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-12(2)11(9-13-12)14-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-2-ethyl-2-methyloxetane?
3-cyclohexyloxy-2-ethyl-2-methyloxetane has a molecular weight of 198.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-2-ethyl-2-methyloxetane is sourced from PubChem (CID 151489410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).