4,6-dimethyl-4H-1,3-dioxine;ethane

C8H16O2 — CID 144876595

IUPAC4,6-dimethyl-4H-1,3-dioxine;ethane
SMILESCC.CC1=CC(C)OCO1
InChIInChI=1S/C6H10O2.C2H6/c1-5-3-6(2)8-4-7-5;1-2/h3,5H,4H2,1-2H3;1-2H3
InChIKeyFUHWUTBBSARQMR-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.31
Rot. Bonds

About 4,6-dimethyl-4H-1,3-dioxine;ethane

4,6-dimethyl-4H-1,3-dioxine;ethane (PubChem CID 144876595) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4,6-dimethyl-4H-1,3-dioxine;ethane.

Molecular Properties

Compound Name4,6-dimethyl-4H-1,3-dioxine;ethane
PubChem CID144876595
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4,6-dimethyl-4H-1,3-dioxine;ethane
SMILESCC.CC1=CC(C)OCO1
InChIInChI=1S/C6H10O2.C2H6/c1-5-3-6(2)8-4-7-5;1-2/h3,5H,4H2,1-2H3;1-2H3
InChIKeyFUHWUTBBSARQMR-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4H-1,3-dioxine;ethane?
The IUPAC name of 4,6-dimethyl-4H-1,3-dioxine;ethane (CID 144876595) is 4,6-dimethyl-4H-1,3-dioxine;ethane.
What is the SMILES notation for 4,6-dimethyl-4H-1,3-dioxine;ethane?
The canonical SMILES for 4,6-dimethyl-4H-1,3-dioxine;ethane is CC.CC1=CC(C)OCO1.
What is the InChIKey of 4,6-dimethyl-4H-1,3-dioxine;ethane?
The InChIKey is FUHWUTBBSARQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H6/c1-5-3-6(2)8-4-7-5;1-2/h3,5H,4H2,1-2H3;1-2H3.
What are the key properties of 4,6-dimethyl-4H-1,3-dioxine;ethane?
4,6-dimethyl-4H-1,3-dioxine;ethane has a molecular weight of 144.21 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4H-1,3-dioxine;ethane is sourced from PubChem (CID 144876595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).