2-methyl-2-(2-phenylethenyl)-1,4-dioxane

C13H16O2 — CID 57070203

IUPAC2-methyl-2-(2-phenylethenyl)-1,4-dioxane
SMILESCC1(C=Cc2ccccc2)COCCO1
InChIInChI=1S/C13H16O2/c1-13(11-14-9-10-15-13)8-7-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyMGYWBCQRQQLFRU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.51
Rot. Bonds2

About 2-methyl-2-(2-phenylethenyl)-1,4-dioxane

2-methyl-2-(2-phenylethenyl)-1,4-dioxane (PubChem CID 57070203) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethenyl)-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethenyl)-1,4-dioxane
PubChem CID57070203
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methyl-2-(2-phenylethenyl)-1,4-dioxane
SMILESCC1(C=Cc2ccccc2)COCCO1
InChIInChI=1S/C13H16O2/c1-13(11-14-9-10-15-13)8-7-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyMGYWBCQRQQLFRU-UHFFFAOYSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylethenyl)-1,4-dioxane?
The IUPAC name of 2-methyl-2-(2-phenylethenyl)-1,4-dioxane (CID 57070203) is 2-methyl-2-(2-phenylethenyl)-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-(2-phenylethenyl)-1,4-dioxane?
The canonical SMILES for 2-methyl-2-(2-phenylethenyl)-1,4-dioxane is CC1(C=Cc2ccccc2)COCCO1.
What is the InChIKey of 2-methyl-2-(2-phenylethenyl)-1,4-dioxane?
The InChIKey is MGYWBCQRQQLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(11-14-9-10-15-13)8-7-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3.
What are the key properties of 2-methyl-2-(2-phenylethenyl)-1,4-dioxane?
2-methyl-2-(2-phenylethenyl)-1,4-dioxane has a molecular weight of 204.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethenyl)-1,4-dioxane is sourced from PubChem (CID 57070203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).