5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C16H20O5 — CID 25216337

IUPAC5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(C(C)(C)C2C(=O)OC(C)(C)OC2=O)cc1
InChIInChI=1S/C16H20O5/c1-15(2,10-6-8-11(19-5)9-7-10)12-13(17)20-16(3,4)21-14(12)18/h6-9,12H,1-5H3
InChIKeyMWROBUOJDTXNKA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.43
Rot. Bonds3

About 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 25216337) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID25216337
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(C(C)(C)C2C(=O)OC(C)(C)OC2=O)cc1
InChIInChI=1S/C16H20O5/c1-15(2,10-6-8-11(19-5)9-7-10)12-13(17)20-16(3,4)21-14(12)18/h6-9,12H,1-5H3
InChIKeyMWROBUOJDTXNKA-UHFFFAOYSA-N
XLogP2.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-butylphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 132539771
5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 71331861
5-[5-(4-methoxyphenyl)pentyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 132539772
CID 102373172
CID 102373172
5-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10710743
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
5-(5-methoxy-2-methyl-1H-indol-3-yl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 67794349
5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11283769
(2S)-2-(4-methoxyphenyl)-6,6-dimethyl-1-(4-nitrophenyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 134832293
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
N-[2-(4-methoxyphenyl)propan-2-yl]-N-methylhydroxylamine
CID 82606296

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 25216337) is 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione is COc1ccc(C(C)(C)C2C(=O)OC(C)(C)OC2=O)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is MWROBUOJDTXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-15(2,10-6-8-11(19-5)9-7-10)12-13(17)20-16(3,4)21-14(12)18/h6-9,12H,1-5H3.
What are the key properties of 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 292.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 25216337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).