2,2,3,3,5,6-hexamethyl-1,4-dioxine

C10H18O2 — CID 122631119

IUPAC2,2,3,3,5,6-hexamethyl-1,4-dioxine
SMILESCC1=C(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H18O2/c1-7-8(2)12-10(5,6)9(3,4)11-7/h1-6H3
InChIKeyNMSFTQAIVKHSKU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds

About 2,2,3,3,5,6-hexamethyl-1,4-dioxine

2,2,3,3,5,6-hexamethyl-1,4-dioxine (PubChem CID 122631119) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,2,3,3,5,6-hexamethyl-1,4-dioxine.

Molecular Properties

Compound Name2,2,3,3,5,6-hexamethyl-1,4-dioxine
PubChem CID122631119
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,2,3,3,5,6-hexamethyl-1,4-dioxine
SMILESCC1=C(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H18O2/c1-7-8(2)12-10(5,6)9(3,4)11-7/h1-6H3
InChIKeyNMSFTQAIVKHSKU-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,6-hexamethyl-1,4-dioxine?
The IUPAC name of 2,2,3,3,5,6-hexamethyl-1,4-dioxine (CID 122631119) is 2,2,3,3,5,6-hexamethyl-1,4-dioxine.
What is the SMILES notation for 2,2,3,3,5,6-hexamethyl-1,4-dioxine?
The canonical SMILES for 2,2,3,3,5,6-hexamethyl-1,4-dioxine is CC1=C(C)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,2,3,3,5,6-hexamethyl-1,4-dioxine?
The InChIKey is NMSFTQAIVKHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-8(2)12-10(5,6)9(3,4)11-7/h1-6H3.
What are the key properties of 2,2,3,3,5,6-hexamethyl-1,4-dioxine?
2,2,3,3,5,6-hexamethyl-1,4-dioxine has a molecular weight of 170.25 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,6-hexamethyl-1,4-dioxine is sourced from PubChem (CID 122631119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).