2-(2-methylpropyl)-2-phenyl-1,3-dioxane

C14H20O2 — CID 89439871

IUPAC2-(2-methylpropyl)-2-phenyl-1,3-dioxane
SMILESCC(C)CC1(c2ccccc2)OCCCO1
InChIInChI=1S/C14H20O2/c1-12(2)11-14(15-9-6-10-16-14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyMTHOVCHRJNPXLJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-methylpropyl)-2-phenyl-1,3-dioxane

2-(2-methylpropyl)-2-phenyl-1,3-dioxane (PubChem CID 89439871) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-phenyl-1,3-dioxane
PubChem CID89439871
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-methylpropyl)-2-phenyl-1,3-dioxane
SMILESCC(C)CC1(c2ccccc2)OCCCO1
InChIInChI=1S/C14H20O2/c1-12(2)11-14(15-9-6-10-16-14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyMTHOVCHRJNPXLJ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2-phenyl-1,3-dioxane?
The IUPAC name of 2-(2-methylpropyl)-2-phenyl-1,3-dioxane (CID 89439871) is 2-(2-methylpropyl)-2-phenyl-1,3-dioxane.
What is the SMILES notation for 2-(2-methylpropyl)-2-phenyl-1,3-dioxane?
The canonical SMILES for 2-(2-methylpropyl)-2-phenyl-1,3-dioxane is CC(C)CC1(c2ccccc2)OCCCO1.
What is the InChIKey of 2-(2-methylpropyl)-2-phenyl-1,3-dioxane?
The InChIKey is MTHOVCHRJNPXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(2)11-14(15-9-6-10-16-14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2-phenyl-1,3-dioxane?
2-(2-methylpropyl)-2-phenyl-1,3-dioxane has a molecular weight of 220.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-phenyl-1,3-dioxane is sourced from PubChem (CID 89439871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).