2-methyl-2-(2-phenylethyl)-1,3-dioxane

C13H18O2 — CID 11229518

IUPAC2-methyl-2-(2-phenylethyl)-1,3-dioxane
SMILESCC1(CCc2ccccc2)OCCCO1
InChIInChI=1S/C13H18O2/c1-13(14-10-5-11-15-13)9-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyKCOVNPWNXCVKFO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.77
Rot. Bonds3

About 2-methyl-2-(2-phenylethyl)-1,3-dioxane

2-methyl-2-(2-phenylethyl)-1,3-dioxane (PubChem CID 11229518) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethyl)-1,3-dioxane
PubChem CID11229518
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-methyl-2-(2-phenylethyl)-1,3-dioxane
SMILESCC1(CCc2ccccc2)OCCCO1
InChIInChI=1S/C13H18O2/c1-13(14-10-5-11-15-13)9-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyKCOVNPWNXCVKFO-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.77
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-phenylethyl)-1,3-dioxane?
The IUPAC name of 2-methyl-2-(2-phenylethyl)-1,3-dioxane (CID 11229518) is 2-methyl-2-(2-phenylethyl)-1,3-dioxane.
What is the SMILES notation for 2-methyl-2-(2-phenylethyl)-1,3-dioxane?
The canonical SMILES for 2-methyl-2-(2-phenylethyl)-1,3-dioxane is CC1(CCc2ccccc2)OCCCO1.
What is the InChIKey of 2-methyl-2-(2-phenylethyl)-1,3-dioxane?
The InChIKey is KCOVNPWNXCVKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(14-10-5-11-15-13)9-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 2-methyl-2-(2-phenylethyl)-1,3-dioxane?
2-methyl-2-(2-phenylethyl)-1,3-dioxane has a molecular weight of 206.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethyl)-1,3-dioxane is sourced from PubChem (CID 11229518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).