ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate

C107H206O28 — CID 160636333

About ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate

ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 160636333) has the molecular formula C107H206O28 and a molecular weight of 1940.80 g/mol. Its IUPAC name is ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 160636333
• Molecular Formula: C107H206O28
• Molecular Weight: 1940.80 g/mol
• Exact Mass: 1939.47
• IUPAC Name: ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1CC2CC(C(=O)OCOC)C1C2.CCC(C)C(=O)OC1CC2CC(C(=O)OCOC)C1C2.CCC(C)C(=O)OCCC(=O)OC1(CC)CCCC1.CCC1(OC(=O)CCOC(=O)C(C)(C)CC)CCCC1.CCOCOC(=O)C1CC2CC(OC(=O)C(C)(C)CC)C1C2.CCOCOC(=O)C1CC2CC(OC(=O)C(C)CC)C1C2
• InChI: InChI=1S/C17H28O5.2C16H26O5.C16H28O4.C15H24O5.C15H26O4.12CH4/c1-5-17(3,4)16(19)22-14-9-11-7-12(14)13(8-11)15(18)21-10-20-6-2;1-5-16(2,3)15(18)21-13-8-10-6-11(13)12(7-10)14(17)20-9-19-4;1-4-10(3)15(17)21-14-8-11-6-12(14)13(7-11)16(18)20-9-19-5-2;1-5-15(3,4)14(18)19-12-9-13(17)20-16(6-2)10-7-8-11-16;1-4-9(2)14(16)20-13-7-10-5-11(13)12(6-10)15(17)19-8-18-3;1-4-12(3)14(17)18-11-8-13(16)19-15(5-2)9-6-7-10-15;;;;;;;;;;;;/h11-14H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;5-12H2,1-4H3;9-13H,4-8H2,1-3H3;12H,4-11H2,1-3H3;12*1H4
• InChIKey: RIOUMABKPDUDCB-UHFFFAOYSA-N
• XLogP: 24.60
• TPSA: 352.52 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.80
LogP ≤ 5	24.60
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate (CID 160636333) is ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate is C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1CC2CC(C(=O)OCOC)C1C2.CCC(C)C(=O)OC1CC2CC(C(=O)OCOC)C1C2.CCC(C)C(=O)OCCC(=O)OC1(CC)CCCC1.CCC1(OC(=O)CCOC(=O)C(C)(C)CC)CCCC1.CCOCOC(=O)C1CC2CC(OC(=O)C(C)(C)CC)C1C2.CCOCOC(=O)C1CC2CC(OC(=O)C(C)CC)C1C2.

What is the InChIKey of ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is RIOUMABKPDUDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5.2C16H26O5.C16H28O4.C15H24O5.C15H26O4.12CH4/c1-5-17(3,4)16(19)22-14-9-11-7-12(14)13(8-11)15(18)21-10-20-6-2;1-5-16(2,3)15(18)21-13-8-10-6-11(13)12(7-10)14(17)20-9-19-4;1-4-10(3)15(17)21-14-8-11-6-12(14)13(7-11)16(18)20-9-19-5-2;1-5-15(3,4)14(18)19-12-9-13(17)20-16(6-2)10-7-8-11-16;1-4-9(2)14(16)20-13-7-10-5-11(13)12(6-10)15(17)19-8-18-3;1-4-12(3)14(17)18-11-8-13(16)19-15(5-2)9-6-7-10-15;;;;;;;;;;;;/h11-14H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;5-12H2,1-4H3;9-13H,4-8H2,1-3H3;12H,4-11H2,1-3H3;12*1H4.

What are the key properties of ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate?

ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 1940.80 g/mol, XLogP of 24.60, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2-methylbutanoate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 160636333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).