3-(ethoxymethyl)-3-methoxynonane

C13H28O2 — CID 91409964

IUPAC3-(ethoxymethyl)-3-methoxynonane
SMILESCCCCCCC(CC)(COCC)OC
InChIInChI=1S/C13H28O2/c1-5-8-9-10-11-13(6-2,14-4)12-15-7-3/h5-12H2,1-4H3
InChIKeyAZCUOIYHYSGHOQ-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.79
Rot. Bonds10

About 3-(ethoxymethyl)-3-methoxynonane

3-(ethoxymethyl)-3-methoxynonane (PubChem CID 91409964) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-methoxynonane.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-methoxynonane
PubChem CID91409964
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-(ethoxymethyl)-3-methoxynonane
SMILESCCCCCCC(CC)(COCC)OC
InChIInChI=1S/C13H28O2/c1-5-8-9-10-11-13(6-2,14-4)12-15-7-3/h5-12H2,1-4H3
InChIKeyAZCUOIYHYSGHOQ-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-methoxynonane?
The IUPAC name of 3-(ethoxymethyl)-3-methoxynonane (CID 91409964) is 3-(ethoxymethyl)-3-methoxynonane.
What is the SMILES notation for 3-(ethoxymethyl)-3-methoxynonane?
The canonical SMILES for 3-(ethoxymethyl)-3-methoxynonane is CCCCCCC(CC)(COCC)OC.
What is the InChIKey of 3-(ethoxymethyl)-3-methoxynonane?
The InChIKey is AZCUOIYHYSGHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-8-9-10-11-13(6-2,14-4)12-15-7-3/h5-12H2,1-4H3.
What are the key properties of 3-(ethoxymethyl)-3-methoxynonane?
3-(ethoxymethyl)-3-methoxynonane has a molecular weight of 216.36 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-methoxynonane is sourced from PubChem (CID 91409964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).