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

C10H18O2 — CID 102249059

IUPAC2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane
SMILESC=CC1OC(C)(C)CC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-6-8-11-9(2,3)7-10(4,5)12-8/h6,8H,1,7H2,2-5H3
InChIKeyLNBLAKMDWDYXQA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds1

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

2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane (PubChem CID 102249059) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane
PubChem CID102249059
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane
SMILESC=CC1OC(C)(C)CC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-6-8-11-9(2,3)7-10(4,5)12-8/h6,8H,1,7H2,2-5H3
InChIKeyLNBLAKMDWDYXQA-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
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-4,4,6,6-tetramethyl-1,3-dioxane?
The IUPAC name of 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane (CID 102249059) is 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane.
What is the SMILES notation for 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane?
The canonical SMILES for 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane is C=CC1OC(C)(C)CC(C)(C)O1.
What is the InChIKey of 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane?
The InChIKey is LNBLAKMDWDYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-8-11-9(2,3)7-10(4,5)12-8/h6,8H,1,7H2,2-5H3.
What are the key properties of 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane?
2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4,6,6-tetramethyl-1,3-dioxane is sourced from PubChem (CID 102249059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).