2,2,3,3,5,5,6-heptaethyl-1,4-dioxane

C18H36O2 — CID 90110890

IUPAC2,2,3,3,5,5,6-heptaethyl-1,4-dioxane
SMILESCCC1OC(CC)(CC)C(CC)(CC)OC1(CC)CC
InChIInChI=1S/C18H36O2/c1-8-15-16(9-2,10-3)20-18(13-6,14-7)17(11-4,12-5)19-15/h15H,8-14H2,1-7H3
InChIKeyUPJMOKLAIXUXCQ-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.49
Rot. Bonds7

About 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane

2,2,3,3,5,5,6-heptaethyl-1,4-dioxane (PubChem CID 90110890) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane.

Molecular Properties

Compound Name2,2,3,3,5,5,6-heptaethyl-1,4-dioxane
PubChem CID90110890
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2,2,3,3,5,5,6-heptaethyl-1,4-dioxane
SMILESCCC1OC(CC)(CC)C(CC)(CC)OC1(CC)CC
InChIInChI=1S/C18H36O2/c1-8-15-16(9-2,10-3)20-18(13-6,14-7)17(11-4,12-5)19-15/h15H,8-14H2,1-7H3
InChIKeyUPJMOKLAIXUXCQ-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane?
The IUPAC name of 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane (CID 90110890) is 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane.
What is the SMILES notation for 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane?
The canonical SMILES for 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane is CCC1OC(CC)(CC)C(CC)(CC)OC1(CC)CC.
What is the InChIKey of 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane?
The InChIKey is UPJMOKLAIXUXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-8-15-16(9-2,10-3)20-18(13-6,14-7)17(11-4,12-5)19-15/h15H,8-14H2,1-7H3.
What are the key properties of 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane?
2,2,3,3,5,5,6-heptaethyl-1,4-dioxane has a molecular weight of 284.48 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6-heptaethyl-1,4-dioxane is sourced from PubChem (CID 90110890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).