bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate

C141H170O39 — CID 161009841

About bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate

bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate (PubChem CID 161009841) has the molecular formula C141H170O39 and a molecular weight of 2488.87 g/mol. Its IUPAC name is bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate.

Molecular Properties

• Compound Name: bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate
• PubChem CID: 161009841
• Molecular Formula: C141H170O39
• Molecular Weight: 2488.87 g/mol
• Exact Mass: 2487.13
• IUPAC Name: bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate
• SMILES: CC1(COC(=O)c2ccc(C(=O)OCC3(C)COC3)cc2)COC1.CC1(COC(=O)c2cccc(C(=O)OCC3(C)COC3)c2)COC1.CCC1(COC(=O)c2cc3ccccc3cc2C(=O)OCC2(CC)COC2)COC1.CCC1(COC(=O)c2ccc(C(=O)OCC3(CC)COC3)cc2)COC1.CCC1(COC(=O)c2ccc3cc(C(=O)OCC4(CC)COC4)ccc3c2)COC1.CCC1(COC(=O)c2cccc(C(=O)OCC3(CC)COC3)c2)COC1.CCC1(COC(=O)c2cccc3ccccc23)COC1
• InChI: InChI=1S/2C24H28O6.2C20H26O6.2C18H22O6.C17H18O3/c1-3-23(11-27-12-23)15-29-21(25)19-7-5-18-10-20(8-6-17(18)9-19)22(26)30-16-24(4-2)13-28-14-24;1-3-23(11-27-12-23)15-29-21(25)19-9-17-7-5-6-8-18(17)10-20(19)22(26)30-16-24(4-2)13-28-14-24;1-3-19(9-23-10-19)13-25-17(21)15-5-7-16(8-6-15)18(22)26-14-20(4-2)11-24-12-20;1-3-19(9-23-10-19)13-25-17(21)15-6-5-7-16(8-15)18(22)26-14-20(4-2)11-24-12-20;1-17(7-21-8-17)11-23-15(19)13-3-5-14(6-4-13)16(20)24-12-18(2)9-22-10-18;1-17(7-21-8-17)11-23-15(19)13-4-3-5-14(6-13)16(20)24-12-18(2)9-22-10-18;1-2-17(10-19-11-17)12-20-16(18)15-9-5-7-13-6-3-4-8-14(13)15/h2*5-10H,3-4,11-16H2,1-2H3;2*5-8H,3-4,9-14H2,1-2H3;2*3-6H,7-12H2,1-2H3;3-9H,2,10-12H2,1H3
• InChIKey: TWZHJPASVLXFHK-UHFFFAOYSA-N
• XLogP: 21.29
• TPSA: 461.89 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 48
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2488.87
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate?

The IUPAC name of bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate (CID 161009841) is bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate.

What is the SMILES notation for bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate?

The canonical SMILES for bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate is CC1(COC(=O)c2ccc(C(=O)OCC3(C)COC3)cc2)COC1.CC1(COC(=O)c2cccc(C(=O)OCC3(C)COC3)c2)COC1.CCC1(COC(=O)c2cc3ccccc3cc2C(=O)OCC2(CC)COC2)COC1.CCC1(COC(=O)c2ccc(C(=O)OCC3(CC)COC3)cc2)COC1.CCC1(COC(=O)c2ccc3cc(C(=O)OCC4(CC)COC4)ccc3c2)COC1.CCC1(COC(=O)c2cccc(C(=O)OCC3(CC)COC3)c2)COC1.CCC1(COC(=O)c2cccc3ccccc23)COC1.

What is the InChIKey of bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate?

The InChIKey is TWZHJPASVLXFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H28O6.2C20H26O6.2C18H22O6.C17H18O3/c1-3-23(11-27-12-23)15-29-21(25)19-7-5-18-10-20(8-6-17(18)9-19)22(26)30-16-24(4-2)13-28-14-24;1-3-23(11-27-12-23)15-29-21(25)19-9-17-7-5-6-8-18(17)10-20(19)22(26)30-16-24(4-2)13-28-14-24;1-3-19(9-23-10-19)13-25-17(21)15-5-7-16(8-6-15)18(22)26-14-20(4-2)11-24-12-20;1-3-19(9-23-10-19)13-25-17(21)15-6-5-7-16(8-15)18(22)26-14-20(4-2)11-24-12-20;1-17(7-21-8-17)11-23-15(19)13-3-5-14(6-4-13)16(20)24-12-18(2)9-22-10-18;1-17(7-21-8-17)11-23-15(19)13-4-3-5-14(6-13)16(20)24-12-18(2)9-22-10-18;1-2-17(10-19-11-17)12-20-16(18)15-9-5-7-13-6-3-4-8-14(13)15/h2*5-10H,3-4,11-16H2,1-2H3;2*5-8H,3-4,9-14H2,1-2H3;2*3-6H,7-12H2,1-2H3;3-9H,2,10-12H2,1H3.

What are the key properties of bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate?

bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate has a molecular weight of 2488.87 g/mol, XLogP of 21.29, 48 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(3-ethyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,3-dicarboxylate;bis[(3-ethyloxetan-3-yl)methyl] naphthalene-2,6-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,3-dicarboxylate;bis[(3-methyloxetan-3-yl)methyl] benzene-1,4-dicarboxylate;(3-ethyloxetan-3-yl)methyl naphthalene-1-carboxylate is sourced from PubChem (CID 161009841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).