bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

C142H230O19 — CID 158569339

About bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);(1-methylcyclopentyl) 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);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 158569339) has the molecular formula C142H230O19 and a molecular weight of 2241.38 g/mol. Its IUPAC name is bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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: bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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: 158569339
• Molecular Formula: C142H230O19
• Molecular Weight: 2241.38 g/mol
• Exact Mass: 2239.70
• IUPAC Name: bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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)C2C(=O)OCC12.CCC1CC(CC)C2C(=O)OCC12.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)OC3(C)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1OC(CC)C2C(=O)OCC12
• InChI: InChI=1S/2C22H36O2.C21H34O2.3C15H24O2.2C11H18O2.C10H16O3/c2*1-4-14-11-15(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;3*1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;2*1-3-7-5-8(4-2)10-9(7)6-13-11(10)12;1-3-7-6-5-12-10(11)9(6)8(4-2)13-7/h2*14-20H,4-13H2,1-3H3;13-19H,4-12H2,1-3H3;3*8-14H,3-7H2,1-2H3,(H,16,17);2*7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
• InChIKey: HRWSFDRUUKOOBI-UHFFFAOYSA-N
• XLogP: 32.47
• TPSA: 278.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.38
LogP ≤ 5	32.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 158569339) is bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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)C2C(=O)OCC12.CCC1CC(CC)C2C(=O)OCC12.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)OC3(C)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.

What is the InChIKey of bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 HRWSFDRUUKOOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H36O2.C21H34O2.3C15H24O2.2C11H18O2.C10H16O3/c2*1-4-14-11-15(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;3*1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;2*1-3-7-5-8(4-2)10-9(7)6-13-11(10)12;1-3-7-6-5-12-10(11)9(6)8(4-2)13-7/h2*14-20H,4-13H2,1-3H3;13-19H,4-12H2,1-3H3;3*8-14H,3-7H2,1-2H3,(H,16,17);2*7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3.

What are the key properties of bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);(1-methylcyclopentyl) 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);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 2241.38 g/mol, XLogP of 32.47, 29 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 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 158569339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).