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

C18H20O2 — CID 53425980

IUPAC4,4-dimethyl-2,6-diphenyl-1,3-dioxane
SMILESCC1(C)CC(c2ccccc2)OC(c2ccccc2)O1
InChIInChI=1S/C18H20O2/c1-18(2)13-16(14-9-5-3-6-10-14)19-17(20-18)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKeyYWZRCNNFDDESHR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.64
Rot. Bonds2

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

4,4-dimethyl-2,6-diphenyl-1,3-dioxane (PubChem CID 53425980) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,4-dimethyl-2,6-diphenyl-1,3-dioxane.

Molecular Properties

Compound Name4,4-dimethyl-2,6-diphenyl-1,3-dioxane
PubChem CID53425980
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4,4-dimethyl-2,6-diphenyl-1,3-dioxane
SMILESCC1(C)CC(c2ccccc2)OC(c2ccccc2)O1
InChIInChI=1S/C18H20O2/c1-18(2)13-16(14-9-5-3-6-10-14)19-17(20-18)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKeyYWZRCNNFDDESHR-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,6-diphenyl-1,3-dioxane?
The IUPAC name of 4,4-dimethyl-2,6-diphenyl-1,3-dioxane (CID 53425980) is 4,4-dimethyl-2,6-diphenyl-1,3-dioxane.
What is the SMILES notation for 4,4-dimethyl-2,6-diphenyl-1,3-dioxane?
The canonical SMILES for 4,4-dimethyl-2,6-diphenyl-1,3-dioxane is CC1(C)CC(c2ccccc2)OC(c2ccccc2)O1.
What is the InChIKey of 4,4-dimethyl-2,6-diphenyl-1,3-dioxane?
The InChIKey is YWZRCNNFDDESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2)13-16(14-9-5-3-6-10-14)19-17(20-18)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,6-diphenyl-1,3-dioxane?
4,4-dimethyl-2,6-diphenyl-1,3-dioxane has a molecular weight of 268.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,6-diphenyl-1,3-dioxane is sourced from PubChem (CID 53425980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).