5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane

C14H20O4 — CID 12721367

IUPAC5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
SMILESCOCC1(COC)COC(c2ccccc2)OC1
InChIInChI=1S/C14H20O4/c1-15-8-14(9-16-2)10-17-13(18-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyKUOCKPGVDFMZBD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.01
Rot. Bonds5

About 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane

5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane (PubChem CID 12721367) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
PubChem CID12721367
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
SMILESCOCC1(COC)COC(c2ccccc2)OC1
InChIInChI=1S/C14H20O4/c1-15-8-14(9-16-2)10-17-13(18-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyKUOCKPGVDFMZBD-UHFFFAOYSA-N
XLogP2.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane?
The IUPAC name of 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane (CID 12721367) is 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane.
What is the SMILES notation for 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane?
The canonical SMILES for 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane is COCC1(COC)COC(c2ccccc2)OC1.
What is the InChIKey of 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane?
The InChIKey is KUOCKPGVDFMZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-15-8-14(9-16-2)10-17-13(18-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane?
5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane has a molecular weight of 252.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane is sourced from PubChem (CID 12721367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).