5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane

C13H18O3 — CID 15341678

IUPAC5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane
SMILESCOC1(c2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C13H18O3/c1-12(2)15-9-13(14-3,10-16-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyPXFJESCTPXMFNO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.31
Rot. Bonds2

About 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane

5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane (PubChem CID 15341678) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane
PubChem CID15341678
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane
SMILESCOC1(c2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C13H18O3/c1-12(2)15-9-13(14-3,10-16-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyPXFJESCTPXMFNO-UHFFFAOYSA-N
XLogP2.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane?
The IUPAC name of 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane (CID 15341678) is 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane?
The canonical SMILES for 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane is COC1(c2ccccc2)COC(C)(C)OC1.
What is the InChIKey of 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane?
The InChIKey is PXFJESCTPXMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-12(2)15-9-13(14-3,10-16-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane?
5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane has a molecular weight of 222.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane is sourced from PubChem (CID 15341678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).