[7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide

C70H108O27S7 — CID 159978786

About [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide

[7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide (PubChem CID 159978786) has the molecular formula C70H108O27S7 and a molecular weight of 1606.08 g/mol. Its IUPAC name is [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide.

Molecular Properties

• Compound Name: [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide
• PubChem CID: 159978786
• Molecular Formula: C70H108O27S7
• Molecular Weight: 1606.08 g/mol
• Exact Mass: 1604.51
• IUPAC Name: [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide
• SMILES: CC(=O)OCC12CC3C(COC(C)=O)(O1)C(CS3(=O)=O)C2C.CC1C2CC3C(C)(O2)C1CS3(=O)=O.CC1C2CC3C(O2)C1(C)CS3(=O)=O.CC1C2CS(=O)(=O)C3C(C)C1OC23.CC1C2CS(=O)(=O)C3CC1(C)OC23.CC1C2CS(=O)(=O)C3CC1(C)OC23C.CC1C2CS(=O)(=O)C3CC1(CO)OC23CO
• InChI: InChI=1S/C14H20O7S.C10H16O5S.C10H16O3S.4C9H14O3S/c1-8-11-5-22(17,18)12-4-13(8,6-19-9(2)15)21-14(11,12)7-20-10(3)16;1-6-7-3-16(13,14)8-2-9(6,4-11)15-10(7,8)5-12;1-6-7-5-14(11,12)8-4-9(6,2)13-10(7,8)3;1-5-6-4-13(10,11)7-3-9(5,2)12-8(6)7;1-5-6-4-13(10,11)8-3-7(5)12-9(6,8)2;1-5-6-3-7-8(12-6)9(5,2)4-13(7,10)11;1-4-6-3-13(10,11)9-5(2)7(4)12-8(6)9/h8,11-12H,4-7H2,1-3H3;6-8,11-12H,2-5H2,1H3;6-8H,4-5H2,1-3H3;3*5-8H,3-4H2,1-2H3;4-9H,3H2,1-2H3
• InChIKey: OFMODFMRUFANGH-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 396.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 6
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1606.08
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?

The IUPAC name of [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide (CID 159978786) is [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide.

What is the SMILES notation for [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?

The canonical SMILES for [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide is CC(=O)OCC12CC3C(COC(C)=O)(O1)C(CS3(=O)=O)C2C.CC1C2CC3C(C)(O2)C1CS3(=O)=O.CC1C2CC3C(O2)C1(C)CS3(=O)=O.CC1C2CS(=O)(=O)C3C(C)C1OC23.CC1C2CS(=O)(=O)C3CC1(C)OC23.CC1C2CS(=O)(=O)C3CC1(C)OC23C.CC1C2CS(=O)(=O)C3CC1(CO)OC23CO.

What is the InChIKey of [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?

The InChIKey is OFMODFMRUFANGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O7S.C10H16O5S.C10H16O3S.4C9H14O3S/c1-8-11-5-22(17,18)12-4-13(8,6-19-9(2)15)21-14(11,12)7-20-10(3)16;1-6-7-3-16(13,14)8-2-9(6,4-11)15-10(7,8)5-12;1-6-7-5-14(11,12)8-4-9(6,2)13-10(7,8)3;1-5-6-4-13(10,11)7-3-9(5,2)12-8(6)7;1-5-6-4-13(10,11)8-3-7(5)12-9(6,8)2;1-5-6-3-7-8(12-6)9(5,2)4-13(7,10)11;1-4-6-3-13(10,11)9-5(2)7(4)12-8(6)9/h8,11-12H,4-7H2,1-3H3;6-8,11-12H,2-5H2,1H3;6-8H,4-5H2,1-3H3;3*5-8H,3-4H2,1-2H3;4-9H,3H2,1-2H3.

What are the key properties of [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?

[7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide has a molecular weight of 1606.08 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(acetyloxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methyl acetate;1,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;2,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;6,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;7,9-dimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide;[7-(hydroxymethyl)-9-methyl-4,4-dioxo-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonan-1-yl]methanol;1,7,9-trimethyl-8-oxa-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide is sourced from PubChem (CID 159978786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).