2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane

C14H20O2 — CID 11971167

IUPAC2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
SMILESCC(C)(Cc1ccccc1)C1OCCCO1
InChIInChI=1S/C14H20O2/c1-14(2,13-15-9-6-10-16-13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyXLBGULCFJZYKKW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.02
Rot. Bonds3

About 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane

2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane (PubChem CID 11971167) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
PubChem CID11971167
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
SMILESCC(C)(Cc1ccccc1)C1OCCCO1
InChIInChI=1S/C14H20O2/c1-14(2,13-15-9-6-10-16-13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyXLBGULCFJZYKKW-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane?
The IUPAC name of 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane (CID 11971167) is 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane?
The canonical SMILES for 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane is CC(C)(Cc1ccccc1)C1OCCCO1.
What is the InChIKey of 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane?
The InChIKey is XLBGULCFJZYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,13-15-9-6-10-16-13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3.
What are the key properties of 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane?
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane has a molecular weight of 220.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane is sourced from PubChem (CID 11971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).