2,2-dimethyl-1,4-dioxane;ethene

C8H16O2 — CID 174732671

IUPAC2,2-dimethyl-1,4-dioxane;ethene
SMILESC=C.CC1(C)COCCO1
InChIInChI=1S/C6H12O2.C2H4/c1-6(2)5-7-3-4-8-6;1-2/h3-5H2,1-2H3;1-2H2
InChIKeyYJNHSAZICVOIPZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds

About 2,2-dimethyl-1,4-dioxane;ethene

2,2-dimethyl-1,4-dioxane;ethene (PubChem CID 174732671) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-dioxane;ethene.

Molecular Properties

Compound Name2,2-dimethyl-1,4-dioxane;ethene
PubChem CID174732671
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,2-dimethyl-1,4-dioxane;ethene
SMILESC=C.CC1(C)COCCO1
InChIInChI=1S/C6H12O2.C2H4/c1-6(2)5-7-3-4-8-6;1-2/h3-5H2,1-2H3;1-2H2
InChIKeyYJNHSAZICVOIPZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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 2,2-dimethyl-1,4-dioxane;ethene?
The IUPAC name of 2,2-dimethyl-1,4-dioxane;ethene (CID 174732671) is 2,2-dimethyl-1,4-dioxane;ethene.
What is the SMILES notation for 2,2-dimethyl-1,4-dioxane;ethene?
The canonical SMILES for 2,2-dimethyl-1,4-dioxane;ethene is C=C.CC1(C)COCCO1.
What is the InChIKey of 2,2-dimethyl-1,4-dioxane;ethene?
The InChIKey is YJNHSAZICVOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H4/c1-6(2)5-7-3-4-8-6;1-2/h3-5H2,1-2H3;1-2H2.
What are the key properties of 2,2-dimethyl-1,4-dioxane;ethene?
2,2-dimethyl-1,4-dioxane;ethene has a molecular weight of 144.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-dioxane;ethene is sourced from PubChem (CID 174732671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).