ethoxymethylcyclopropane

C6H12O — CID 12500871

IUPACethoxymethylcyclopropane
SMILESCCOCC1CC1
InChIInChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3
InChIKeyIKNJKDOJQZFTLW-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.43
Rot. Bonds3

About ethoxymethylcyclopropane

ethoxymethylcyclopropane (PubChem CID 12500871) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is ethoxymethylcyclopropane.

Molecular Properties

Compound Nameethoxymethylcyclopropane
PubChem CID12500871
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Nameethoxymethylcyclopropane
SMILESCCOCC1CC1
InChIInChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3
InChIKeyIKNJKDOJQZFTLW-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethoxymethylcyclopropane 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 ethoxymethylcyclopropane?
The IUPAC name of ethoxymethylcyclopropane (CID 12500871) is ethoxymethylcyclopropane.
What is the SMILES notation for ethoxymethylcyclopropane?
The canonical SMILES for ethoxymethylcyclopropane is CCOCC1CC1.
What is the InChIKey of ethoxymethylcyclopropane?
The InChIKey is IKNJKDOJQZFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of ethoxymethylcyclopropane?
ethoxymethylcyclopropane has a molecular weight of 100.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylcyclopropane is sourced from PubChem (CID 12500871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).