3-ethoxy-1-methoxy-3-methylbutan-2-one

C8H16O3 — CID 23405010

IUPAC3-ethoxy-1-methoxy-3-methylbutan-2-one
SMILESCCOC(C)(C)C(=O)COC
InChIInChI=1S/C8H16O3/c1-5-11-8(2,3)7(9)6-10-4/h5-6H2,1-4H3
InChIKeyMTOCYLYWDXJAFD-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.02
Rot. Bonds5

About 3-ethoxy-1-methoxy-3-methylbutan-2-one

3-ethoxy-1-methoxy-3-methylbutan-2-one (PubChem CID 23405010) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-ethoxy-1-methoxy-3-methylbutan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-methoxy-3-methylbutan-2-one
PubChem CID23405010
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-ethoxy-1-methoxy-3-methylbutan-2-one
SMILESCCOC(C)(C)C(=O)COC
InChIInChI=1S/C8H16O3/c1-5-11-8(2,3)7(9)6-10-4/h5-6H2,1-4H3
InChIKeyMTOCYLYWDXJAFD-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-1-methoxy-3-methylbutan-2-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-ethoxy-1-methoxy-3-methylbutan-2-one?
The IUPAC name of 3-ethoxy-1-methoxy-3-methylbutan-2-one (CID 23405010) is 3-ethoxy-1-methoxy-3-methylbutan-2-one.
What is the SMILES notation for 3-ethoxy-1-methoxy-3-methylbutan-2-one?
The canonical SMILES for 3-ethoxy-1-methoxy-3-methylbutan-2-one is CCOC(C)(C)C(=O)COC.
What is the InChIKey of 3-ethoxy-1-methoxy-3-methylbutan-2-one?
The InChIKey is MTOCYLYWDXJAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-11-8(2,3)7(9)6-10-4/h5-6H2,1-4H3.
What are the key properties of 3-ethoxy-1-methoxy-3-methylbutan-2-one?
3-ethoxy-1-methoxy-3-methylbutan-2-one has a molecular weight of 160.21 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methoxy-3-methylbutan-2-one is sourced from PubChem (CID 23405010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).