tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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

C138H266O18 — CID 157334926

About tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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 157334926) has the molecular formula C138H266O18 and a molecular weight of 2213.63 g/mol. Its IUPAC name is tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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: 157334926
• Molecular Formula: C138H266O18
• Molecular Weight: 2213.63 g/mol
• Exact Mass: 2211.99
• IUPAC Name: tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C(=O)OCC12.CCC1CC(CC)C2C(=O)OCC12.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)OC(C)(C)CC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(C)CCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12
• InChI: InChI=1S/C21H34O2.2C20H34O2.C19H32O2.2C11H18O2.2C10H16O3.16CH4/c1-4-13-10-14(5-2)19-16-11-15(18(13)19)12-17(16)20(22)23-21(3)8-6-7-9-21;2*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;2*1-3-7-5-8(4-2)10-9(7)6-13-11(10)12;2*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7;;;;;;;;;;;;;;;;/h13-19H,4-12H2,1-3H3;2*12-18H,6-11H2,1-5H3;11-17H,6-10H2,1-5H3;2*7-10H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3;16*1H4
• InChIKey: BFSPJVOAUKPQQZ-UHFFFAOYSA-N
• XLogP: 37.37
• TPSA: 228.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.63
LogP ≤ 5	37.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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 157334926) is tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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 C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C(=O)OCC12.CCC1CC(CC)C2C(=O)OCC12.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)OC(C)(C)CC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(C)CCCC3)C12.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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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 BFSPJVOAUKPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2.2C20H34O2.C19H32O2.2C11H18O2.2C10H16O3.16CH4/c1-4-13-10-14(5-2)19-16-11-15(18(13)19)12-17(16)20(22)23-21(3)8-6-7-9-21;2*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;2*1-3-7-5-8(4-2)10-9(7)6-13-11(10)12;2*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7;;;;;;;;;;;;;;;;/h13-19H,4-12H2,1-3H3;2*12-18H,6-11H2,1-5H3;11-17H,6-10H2,1-5H3;2*7-10H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3;16*1H4.

What are the key properties of tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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 2213.63 g/mol, XLogP of 37.37, 25 rotatable bonds, 0 hydrogen bond donors, and 18 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;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(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 157334926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).