5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane

C14H20O4 — CID 11207486

IUPAC5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
SMILESCOC(OC)C1(C)COC(c2ccccc2)OC1
InChIInChI=1S/C14H20O4/c1-14(13(15-2)16-3)9-17-12(18-10-14)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyNRATUTAFKWMSRJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.36
Rot. Bonds4

About 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane

5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane (PubChem CID 11207486) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
PubChem CID11207486
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
SMILESCOC(OC)C1(C)COC(c2ccccc2)OC1
InChIInChI=1S/C14H20O4/c1-14(13(15-2)16-3)9-17-12(18-10-14)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyNRATUTAFKWMSRJ-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane?
The IUPAC name of 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane (CID 11207486) is 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane.
What is the SMILES notation for 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane?
The canonical SMILES for 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane is COC(OC)C1(C)COC(c2ccccc2)OC1.
What is the InChIKey of 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane?
The InChIKey is NRATUTAFKWMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(13(15-2)16-3)9-17-12(18-10-14)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane?
5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane has a molecular weight of 252.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane is sourced from PubChem (CID 11207486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).