5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane

C14H18O2 — CID 6043851

IUPAC5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
SMILESCC1(C)COC(/C=C/c2ccccc2)OC1
InChIInChI=1S/C14H18O2/c1-14(2)10-15-13(16-11-14)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+
InChIKeyRYURQFKFHVTVFW-CMDGGOBGSA-N
MW218.30 g/mol
LogP3.10
Rot. Bonds2

About 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane

5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane (PubChem CID 6043851) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
PubChem CID6043851
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
SMILESCC1(C)COC(/C=C/c2ccccc2)OC1
InChIInChI=1S/C14H18O2/c1-14(2)10-15-13(16-11-14)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+
InChIKeyRYURQFKFHVTVFW-CMDGGOBGSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
(1S,4S)-1-methyl-4-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexane
CID 102095400
(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 93475595
2-[(E)-2-phenylethenyl]-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane
CID 11285986
(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane
CID 138980021
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(2R,4R)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 92532420
(2S,4S)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 93475636
2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane
CID 10528957
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide
CID 11312900

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane (CID 6043851) is 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane is CC1(C)COC(/C=C/c2ccccc2)OC1.
What is the InChIKey of 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
The InChIKey is RYURQFKFHVTVFW-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)10-15-13(16-11-14)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+.
What are the key properties of 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane has a molecular weight of 218.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane is sourced from PubChem (CID 6043851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).