3-ethyl-3-methoxyhexane

C9H20O — CID 12714306

IUPAC3-ethyl-3-methoxyhexane
SMILESCCCC(CC)(CC)OC
InChIInChI=1S/C9H20O/c1-5-8-9(6-2,7-3)10-4/h5-8H2,1-4H3
InChIKeyUWNOCBPPXRATOP-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds5

About 3-ethyl-3-methoxyhexane

3-ethyl-3-methoxyhexane (PubChem CID 12714306) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-3-methoxyhexane.

Molecular Properties

Compound Name3-ethyl-3-methoxyhexane
PubChem CID12714306
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-ethyl-3-methoxyhexane
SMILESCCCC(CC)(CC)OC
InChIInChI=1S/C9H20O/c1-5-8-9(6-2,7-3)10-4/h5-8H2,1-4H3
InChIKeyUWNOCBPPXRATOP-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-3-methoxyhexane 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-ethyl-3-methoxyhexane?
The IUPAC name of 3-ethyl-3-methoxyhexane (CID 12714306) is 3-ethyl-3-methoxyhexane.
What is the SMILES notation for 3-ethyl-3-methoxyhexane?
The canonical SMILES for 3-ethyl-3-methoxyhexane is CCCC(CC)(CC)OC.
What is the InChIKey of 3-ethyl-3-methoxyhexane?
The InChIKey is UWNOCBPPXRATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-8-9(6-2,7-3)10-4/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxyhexane?
3-ethyl-3-methoxyhexane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxyhexane is sourced from PubChem (CID 12714306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).