Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate

C₆₀H₉₄O₂₄ — CID 159857297

About Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate

Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate (PubChem CID 159857297) has the molecular formula C₆₀H₉₄O₂₄ and a molecular weight of 1199.39 g/mol. Its IUPAC name is acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate.

Molecular Properties

• Compound Name: Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate
• PubChem CID: 159857297
• Molecular Formula: C₆₀H₉₄O₂₄
• Molecular Weight: 1199.39 g/mol
• Exact Mass: 1198.61
• IUPAC Name: acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate
• SMILES: C=C1OC(C)=C(COC(=O)C(C)C)O1.CC(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C(C)(C)C.CC(C)C(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C1CCCCC1.CC(C)C(=O)OCOC(=O)c1ccccc1
• InChI: InChI=1S/C12H20O4.C12H14O4.C10H14O4.C10H18O4.C9H16O4.C7H12O4/c2*1-9(2)11(13)15-8-16-12(14)10-6-4-3-5-7-10;1-6(2)10(11)12-5-9-7(3)13-8(4)14-9;1-7(2)8(11)13-6-14-9(12)10(3,4)5;1-6(2)8(10)12-5-13-9(11)7(3)4;1-5(2)7(9)11-4-10-6(3)8/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;6H,4-5H2,1-3H3;7H,6H2,1-5H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3
• InChIKey: NQROEAKKVZNBHD-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 307.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.39
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?

The IUPAC name of Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate (CID 159857297) is acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate.

What is the SMILES notation for Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?

The canonical SMILES for Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate is C=C1OC(C)=C(COC(=O)C(C)C)O1.CC(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C(C)(C)C.CC(C)C(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C1CCCCC1.CC(C)C(=O)OCOC(=O)c1ccccc1.

What is the InChIKey of Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?

The InChIKey is NQROEAKKVZNBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.C12H14O4.C10H14O4.C10H18O4.C9H16O4.C7H12O4/c2*1-9(2)11(13)15-8-16-12(14)10-6-4-3-5-7-10;1-6(2)10(11)12-5-9-7(3)13-8(4)14-9;1-7(2)8(11)13-6-14-9(12)10(3,4)5;1-6(2)8(10)12-5-13-9(11)7(3)4;1-5(2)7(9)11-4-10-6(3)8/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;6H,4-5H2,1-3H3;7H,6H2,1-5H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3.

What are the key properties of Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?

Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate has a molecular weight of 1199.39 g/mol, XLogP of 9.98, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for Acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate is sourced from PubChem (CID 159857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159857297 — identifiers, structure, computed properties (public domain)

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