2-ethyl-6-octyl-1,4-dioxane

C14H28O2 — CID 22761445

IUPAC2-ethyl-6-octyl-1,4-dioxane
SMILESCCCCCCCCC1COCC(CC)O1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-14-12-15-11-13(4-2)16-14/h13-14H,3-12H2,1-2H3
InChIKeyNMMJNOWAYLYDCI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds8

About 2-ethyl-6-octyl-1,4-dioxane

2-ethyl-6-octyl-1,4-dioxane (PubChem CID 22761445) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-6-octyl-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-6-octyl-1,4-dioxane
PubChem CID22761445
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-ethyl-6-octyl-1,4-dioxane
SMILESCCCCCCCCC1COCC(CC)O1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-14-12-15-11-13(4-2)16-14/h13-14H,3-12H2,1-2H3
InChIKeyNMMJNOWAYLYDCI-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
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 2-ethyl-6-octyl-1,4-dioxane?
The IUPAC name of 2-ethyl-6-octyl-1,4-dioxane (CID 22761445) is 2-ethyl-6-octyl-1,4-dioxane.
What is the SMILES notation for 2-ethyl-6-octyl-1,4-dioxane?
The canonical SMILES for 2-ethyl-6-octyl-1,4-dioxane is CCCCCCCCC1COCC(CC)O1.
What is the InChIKey of 2-ethyl-6-octyl-1,4-dioxane?
The InChIKey is NMMJNOWAYLYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-14-12-15-11-13(4-2)16-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-6-octyl-1,4-dioxane?
2-ethyl-6-octyl-1,4-dioxane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-octyl-1,4-dioxane is sourced from PubChem (CID 22761445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).