2-ethoxy-4-hexyl-1,3-dioxole

C11H20O3 — CID 140996391

IUPAC2-ethoxy-4-hexyl-1,3-dioxole
SMILESCCCCCCC1=COC(OCC)O1
InChIInChI=1S/C11H20O3/c1-3-5-6-7-8-10-9-13-11(14-10)12-4-2/h9,11H,3-8H2,1-2H3
InChIKeyOMVQEOJFKZQOHU-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.17
Rot. Bonds7

About 2-ethoxy-4-hexyl-1,3-dioxole

2-ethoxy-4-hexyl-1,3-dioxole (PubChem CID 140996391) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-ethoxy-4-hexyl-1,3-dioxole.

Molecular Properties

Compound Name2-ethoxy-4-hexyl-1,3-dioxole
PubChem CID140996391
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-ethoxy-4-hexyl-1,3-dioxole
SMILESCCCCCCC1=COC(OCC)O1
InChIInChI=1S/C11H20O3/c1-3-5-6-7-8-10-9-13-11(14-10)12-4-2/h9,11H,3-8H2,1-2H3
InChIKeyOMVQEOJFKZQOHU-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-ethoxy-4-hexyl-1,3-dioxole?
The IUPAC name of 2-ethoxy-4-hexyl-1,3-dioxole (CID 140996391) is 2-ethoxy-4-hexyl-1,3-dioxole.
What is the SMILES notation for 2-ethoxy-4-hexyl-1,3-dioxole?
The canonical SMILES for 2-ethoxy-4-hexyl-1,3-dioxole is CCCCCCC1=COC(OCC)O1.
What is the InChIKey of 2-ethoxy-4-hexyl-1,3-dioxole?
The InChIKey is OMVQEOJFKZQOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-6-7-8-10-9-13-11(14-10)12-4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-4-hexyl-1,3-dioxole?
2-ethoxy-4-hexyl-1,3-dioxole has a molecular weight of 200.28 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-hexyl-1,3-dioxole is sourced from PubChem (CID 140996391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).