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

C11H22O2 — CID 122415442

IUPAC2,2,4,4,5,6,6-heptamethyl-1,3-dioxane
SMILESCC1C(C)(C)OC(C)(C)OC1(C)C
InChIInChI=1S/C11H22O2/c1-8-9(2,3)12-11(6,7)13-10(8,4)5/h8H,1-7H3
InChIKeyWFUVAXDYJXHNPY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.96
Rot. Bonds

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

2,2,4,4,5,6,6-heptamethyl-1,3-dioxane (PubChem CID 122415442) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane.

Molecular Properties

Compound Name2,2,4,4,5,6,6-heptamethyl-1,3-dioxane
PubChem CID122415442
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,2,4,4,5,6,6-heptamethyl-1,3-dioxane
SMILESCC1C(C)(C)OC(C)(C)OC1(C)C
InChIInChI=1S/C11H22O2/c1-8-9(2,3)12-11(6,7)13-10(8,4)5/h8H,1-7H3
InChIKeyWFUVAXDYJXHNPY-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane?
The IUPAC name of 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane (CID 122415442) is 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane.
What is the SMILES notation for 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane?
The canonical SMILES for 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane is CC1C(C)(C)OC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane?
The InChIKey is WFUVAXDYJXHNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8-9(2,3)12-11(6,7)13-10(8,4)5/h8H,1-7H3.
What are the key properties of 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane?
2,2,4,4,5,6,6-heptamethyl-1,3-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,6,6-heptamethyl-1,3-dioxane is sourced from PubChem (CID 122415442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).