2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C84H98N2O28 — CID 159347750

About 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 159347750) has the molecular formula C84H98N2O28 and a molecular weight of 1583.69 g/mol. Its IUPAC name is 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

• Compound Name: 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
• PubChem CID: 159347750
• Molecular Formula: C84H98N2O28
• Molecular Weight: 1583.69 g/mol
• Exact Mass: 1582.63
• IUPAC Name: 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
• SMILES: CC1(C)C2CC3C(=O)OC1C3C2.CC1(C)C2CC3C(=O)OC1C3O2.CC1(C)C2OC3C(C(=O)OC31)C2C#N.CC1C2CC3C1OC(=O)C3C2C#N.CC1C2CC3C1OC(=O)C3C2C(=O)OC1C2CC3C(=O)OC1C3C2.CC1C2CC3C1OC(=O)C3C2C(=O)OC1C2CC3C(=O)OC1C3O2.COC(=O)C1C2OC3C(OC(=O)C31)C2C
• InChI: InChI=1S/C18H20O6.C17H18O7.C10H11NO3.C10H11NO2.C10H12O5.C10H14O2.C9H12O3/c1-5-7-4-10-12(18(21)22-13(5)10)11(7)17(20)23-14-6-2-8-9(3-6)16(19)24-15(8)14;1-4-5-2-6-10(17(20)22-11(4)6)9(5)16(19)23-13-8-3-7-12(21-8)14(13)24-15(7)18;1-10(2)7-4(3-11)5-6(13-7)8(10)14-9(5)12;1-4-5-2-6-8(7(5)3-11)10(12)13-9(4)6;1-3-6-4(9(11)13-2)5-8(14-6)7(3)15-10(5)12;1-10(2)5-3-6-7(4-5)9(11)12-8(6)10;1-9(2)5-3-4-6(11-5)7(9)12-8(4)10/h5-15H,2-4H2,1H3;4-14H,2-3H2,1H3;4-8H,1-2H3;4-9H,2H2,1H3;3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3
• InChIKey: LGYCTPTXJPGBPL-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 400.10 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 5
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1583.69
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?

The IUPAC name of 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 159347750) is 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

What is the SMILES notation for 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?

The canonical SMILES for 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is CC1(C)C2CC3C(=O)OC1C3C2.CC1(C)C2CC3C(=O)OC1C3O2.CC1(C)C2OC3C(C(=O)OC31)C2C#N.CC1C2CC3C1OC(=O)C3C2C#N.CC1C2CC3C1OC(=O)C3C2C(=O)OC1C2CC3C(=O)OC1C3C2.CC1C2CC3C1OC(=O)C3C2C(=O)OC1C2CC3C(=O)OC1C3O2.COC(=O)C1C2OC3C(OC(=O)C31)C2C.

What is the InChIKey of 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?

The InChIKey is LGYCTPTXJPGBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6.C17H18O7.C10H11NO3.C10H11NO2.C10H12O5.C10H14O2.C9H12O3/c1-5-7-4-10-12(18(21)22-13(5)10)11(7)17(20)23-14-6-2-8-9(3-6)16(19)24-15(8)14;1-4-5-2-6-10(17(20)22-11(4)6)9(5)16(19)23-13-8-3-7-12(21-8)14(13)24-15(7)18;1-10(2)7-4(3-11)5-6(13-7)8(10)14-9(5)12;1-4-5-2-6-8(7(5)3-11)10(12)13-9(4)6;1-3-6-4(9(11)13-2)5-8(14-6)7(3)15-10(5)12;1-10(2)5-3-6-7(4-5)9(11)12-8(6)10;1-9(2)5-3-4-6(11-5)7(9)12-8(4)10/h5-15H,2-4H2,1H3;4-14H,2-3H2,1H3;4-8H,1-2H3;4-9H,2H2,1H3;3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3.

What are the key properties of 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?

2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 1583.69 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2,2-dimethyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 159347750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).