2,2,4,4,5,5-hexaethyl-1,3-dioxane

C16H32O2 — CID 90109336

IUPAC2,2,4,4,5,5-hexaethyl-1,3-dioxane
SMILESCCC1(CC)OCC(CC)(CC)C(CC)(CC)O1
InChIInChI=1S/C16H32O2/c1-7-14(8-2)13-17-16(11-5,12-6)18-15(14,9-3)10-4/h7-13H2,1-6H3
InChIKeyZFFRRFOHBRPPNG-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.91
Rot. Bonds6

About 2,2,4,4,5,5-hexaethyl-1,3-dioxane

2,2,4,4,5,5-hexaethyl-1,3-dioxane (PubChem CID 90109336) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2,4,4,5,5-hexaethyl-1,3-dioxane.

Molecular Properties

Compound Name2,2,4,4,5,5-hexaethyl-1,3-dioxane
PubChem CID90109336
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,2,4,4,5,5-hexaethyl-1,3-dioxane
SMILESCCC1(CC)OCC(CC)(CC)C(CC)(CC)O1
InChIInChI=1S/C16H32O2/c1-7-14(8-2)13-17-16(11-5,12-6)18-15(14,9-3)10-4/h7-13H2,1-6H3
InChIKeyZFFRRFOHBRPPNG-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5-hexaethyl-1,3-dioxane?
The IUPAC name of 2,2,4,4,5,5-hexaethyl-1,3-dioxane (CID 90109336) is 2,2,4,4,5,5-hexaethyl-1,3-dioxane.
What is the SMILES notation for 2,2,4,4,5,5-hexaethyl-1,3-dioxane?
The canonical SMILES for 2,2,4,4,5,5-hexaethyl-1,3-dioxane is CCC1(CC)OCC(CC)(CC)C(CC)(CC)O1.
What is the InChIKey of 2,2,4,4,5,5-hexaethyl-1,3-dioxane?
The InChIKey is ZFFRRFOHBRPPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-7-14(8-2)13-17-16(11-5,12-6)18-15(14,9-3)10-4/h7-13H2,1-6H3.
What are the key properties of 2,2,4,4,5,5-hexaethyl-1,3-dioxane?
2,2,4,4,5,5-hexaethyl-1,3-dioxane has a molecular weight of 256.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5-hexaethyl-1,3-dioxane is sourced from PubChem (CID 90109336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).