3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one

C13H22O3 — CID 104675203

IUPAC3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1OCC1CCCCC1
InChIInChI=1S/C13H22O3/c1-2-15-13-11(14)8-12(13)16-9-10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3
InChIKeyGNIVBHALGHMYSE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.33
Rot. Bonds5

About 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one

3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one (PubChem CID 104675203) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one
PubChem CID104675203
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1OCC1CCCCC1
InChIInChI=1S/C13H22O3/c1-2-15-13-11(14)8-12(13)16-9-10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3
InChIKeyGNIVBHALGHMYSE-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one 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-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one?
The IUPAC name of 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one (CID 104675203) is 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one is CCOC1C(=O)CC1OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one?
The InChIKey is GNIVBHALGHMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-15-13-11(14)8-12(13)16-9-10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one?
3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one has a molecular weight of 226.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one is sourced from PubChem (CID 104675203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).