2-ethenyl-4,6-dimethyl-1,3-dioxane

C8H14O2 — CID 545888

IUPAC2-ethenyl-4,6-dimethyl-1,3-dioxane
SMILESC=CC1OC(C)CC(C)O1
InChIInChI=1S/C8H14O2/c1-4-8-9-6(2)5-7(3)10-8/h4,6-8H,1,5H2,2-3H3
InChIKeySNMZTSUCSDYFNN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds1

About 2-ethenyl-4,6-dimethyl-1,3-dioxane

2-ethenyl-4,6-dimethyl-1,3-dioxane (PubChem CID 545888) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethenyl-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethenyl-4,6-dimethyl-1,3-dioxane
PubChem CID545888
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-ethenyl-4,6-dimethyl-1,3-dioxane
SMILESC=CC1OC(C)CC(C)O1
InChIInChI=1S/C8H14O2/c1-4-8-9-6(2)5-7(3)10-8/h4,6-8H,1,5H2,2-3H3
InChIKeySNMZTSUCSDYFNN-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,6-dimethyl-1,3-dioxane?
The IUPAC name of 2-ethenyl-4,6-dimethyl-1,3-dioxane (CID 545888) is 2-ethenyl-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-ethenyl-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for 2-ethenyl-4,6-dimethyl-1,3-dioxane is C=CC1OC(C)CC(C)O1.
What is the InChIKey of 2-ethenyl-4,6-dimethyl-1,3-dioxane?
The InChIKey is SNMZTSUCSDYFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8-9-6(2)5-7(3)10-8/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-4,6-dimethyl-1,3-dioxane?
2-ethenyl-4,6-dimethyl-1,3-dioxane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 545888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).