tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

C182H296O28 — CID 162243735

About tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 162243735) has the molecular formula C182H296O28 and a molecular weight of 2932.34 g/mol. Its IUPAC name is tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
• PubChem CID: 162243735
• Molecular Formula: C182H296O28
• Molecular Weight: 2932.34 g/mol
• Exact Mass: 2930.17
• IUPAC Name: tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
• SMILES: CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC(C)(C)C)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC(C)(C)CC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(C)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12
• InChI: InChI=1S/C22H36O2.C21H34O2.C20H34O2.C19H32O2.4C15H24O2.4C10H16O3/c1-4-14-11-15(5-2)20-17-12-16(19(14)20)13-18(17)21(23)24-22(6-3)9-7-8-10-22;1-4-13-10-14(5-2)19-16-11-15(18(13)19)12-17(16)20(22)23-21(3)8-6-7-9-21;1-6-12-9-13(7-2)18-15-10-14(17(12)18)11-16(15)19(21)22-20(4,5)8-3;1-6-11-8-12(7-2)17-14-9-13(16(11)17)10-15(14)18(20)21-19(3,4)5;4*1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;4*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7/h14-20H,4-13H2,1-3H3;13-19H,4-12H2,1-3H3;12-18H,6-11H2,1-5H3;11-17H,6-10H2,1-5H3;4*8-14H,3-7H2,1-2H3,(H,16,17);4*6-9H,3-5H2,1-2H3
• InChIKey: ZXAWTNBYKYJFIK-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 396.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2932.34
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?

The IUPAC name of tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 162243735) is tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.

What is the SMILES notation for tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?

The canonical SMILES for tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC(C)(C)C)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC(C)(C)CC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(C)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.

What is the InChIKey of tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?

The InChIKey is ZXAWTNBYKYJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2.C21H34O2.C20H34O2.C19H32O2.4C15H24O2.4C10H16O3/c1-4-14-11-15(5-2)20-17-12-16(19(14)20)13-18(17)21(23)24-22(6-3)9-7-8-10-22;1-4-13-10-14(5-2)19-16-11-15(18(13)19)12-17(16)20(22)23-21(3)8-6-7-9-21;1-6-12-9-13(7-2)18-15-10-14(17(12)18)11-16(15)19(21)22-20(4,5)8-3;1-6-11-8-12(7-2)17-14-9-13(16(11)17)10-15(14)18(20)21-19(3,4)5;4*1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;4*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7/h14-20H,4-13H2,1-3H3;13-19H,4-12H2,1-3H3;12-18H,6-11H2,1-5H3;11-17H,6-10H2,1-5H3;4*8-14H,3-7H2,1-2H3,(H,16,17);4*6-9H,3-5H2,1-2H3.

What are the key properties of tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?

tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 2932.34 g/mol, XLogP of 39.65, 37 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 162243735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).