8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate

C97H156O28 — CID 157348434

About 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate

8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 157348434) has the molecular formula C97H156O28 and a molecular weight of 1770.29 g/mol. Its IUPAC name is 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

• Compound Name: 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate
• PubChem CID: 157348434
• Molecular Formula: C97H156O28
• Molecular Weight: 1770.29 g/mol
• Exact Mass: 1769.08
• IUPAC Name: 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate
• SMILES: CCC1OC(CC)C2C3OC(C(C(=O)OC)C3C(=O)OC(C)(C)C)C12.CCC1OC(CC)C2C3OC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12.CCC1OC(CC)C2C3OC(C(COC)C3C(=O)OC)C12.CCC1OC(CC)C2C3OC(CC3C(C)C(=O)OC)C12.CCOC(C)OC(=O)CC(OC1CCCCO1)C1CC2OC1C1C(CC)OC(CC)C21
• InChI: InChI=1S/C24H40O7.C22H34O6.C19H30O6.C16H26O5.C16H26O4/c1-5-16-22-19-12-15(24(31-19)23(22)17(6-2)29-16)18(30-21-10-8-9-11-27-21)13-20(25)28-14(4)26-7-3;1-5-12-14-15(13(6-2)26-12)19-17(16(18(14)27-19)20(23)25-4)21(24)28-22(7-3)10-8-9-11-22;1-7-9-11-12(10(8-2)23-9)16-14(18(21)25-19(3,4)5)13(15(11)24-16)17(20)22-6;1-5-9-12-13(10(6-2)20-9)15-11(16(17)19-4)8(7-18-3)14(12)21-15;1-5-10-13-12-7-9(8(3)16(17)18-4)15(20-12)14(13)11(6-2)19-10/h14-19,21-24H,5-13H2,1-4H3;12-19H,5-11H2,1-4H3;9-16H,7-8H2,1-6H3;8-15H,5-7H2,1-4H3;8-15H,5-7H2,1-4H3
• InChIKey: BHGBRWWDFDIVOW-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 313.32 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1770.29
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate?

The IUPAC name of 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate (CID 157348434) is 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate.

What is the SMILES notation for 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate?

The canonical SMILES for 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate is CCC1OC(CC)C2C3OC(C(C(=O)OC)C3C(=O)OC(C)(C)C)C12.CCC1OC(CC)C2C3OC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12.CCC1OC(CC)C2C3OC(C(COC)C3C(=O)OC)C12.CCC1OC(CC)C2C3OC(CC3C(C)C(=O)OC)C12.CCOC(C)OC(=O)CC(OC1CCCCO1)C1CC2OC1C1C(CC)OC(CC)C21.

What is the InChIKey of 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate?

The InChIKey is BHGBRWWDFDIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O7.C22H34O6.C19H30O6.C16H26O5.C16H26O4/c1-5-16-22-19-12-15(24(31-19)23(22)17(6-2)29-16)18(30-21-10-8-9-11-27-21)13-20(25)28-14(4)26-7-3;1-5-12-14-15(13(6-2)26-12)19-17(16(18(14)27-19)20(23)25-4)21(24)28-22(7-3)10-8-9-11-22;1-7-9-11-12(10(8-2)23-9)16-14(18(21)25-19(3,4)5)13(15(11)24-16)17(20)22-6;1-5-9-12-13(10(6-2)20-9)15-11(16(17)19-4)8(7-18-3)14(12)21-15;1-5-10-13-12-7-9(8(3)16(17)18-4)15(20-12)14(13)11(6-2)19-10/h14-19,21-24H,5-13H2,1-4H3;12-19H,5-11H2,1-4H3;9-16H,7-8H2,1-6H3;8-15H,5-7H2,1-4H3;8-15H,5-7H2,1-4H3.

What are the key properties of 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate?

8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 1770.29 g/mol, XLogP of 13.46, 29 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-O-tert-butyl 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;1-ethoxyethyl 3-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-3-(oxan-2-yloxy)propanoate;8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 2-(3,5-diethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate;methyl 3,5-diethyl-9-(methoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 157348434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).