[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate

C112H194O28 — CID 159214553

About [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate

[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate (PubChem CID 159214553) has the molecular formula C112H194O28 and a molecular weight of 1988.76 g/mol. Its IUPAC name is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate
• PubChem CID: 159214553
• Molecular Formula: C112H194O28
• Molecular Weight: 1988.76 g/mol
• Exact Mass: 1987.38
• IUPAC Name: [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.CCC(C)(C)C(=O)OCCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCCCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCCCCC(=O)OC(C)(C)C.CCC1(OC(=O)CCOC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCCC1
• InChI: InChI=1S/C19H30O4.3C16H28O4.2C15H26O4.C15H28O4/c1-5-18(2,3)17(21)22-11-16(20)23-19(4)14-7-12-6-13(9-14)10-15(19)8-12;1-5-15(2,3)14(18)19-12-8-9-13(17)20-16(4)10-6-7-11-16;1-5-15(3,4)14(18)19-12-9-13(17)20-16(6-2)10-7-8-11-16;1-5-15(3,4)14(18)19-12-13(17)20-16(6-2)10-8-7-9-11-16;1-5-14(2,3)13(17)18-11-8-12(16)19-15(4)9-6-7-10-15;1-5-14(2,3)13(17)18-11-12(16)19-15(4)9-7-6-8-10-15;1-7-15(5,6)13(17)18-11-9-8-10-12(16)19-14(2,3)4/h12-15H,5-11H2,1-4H3;3*5-12H2,1-4H3;2*5-11H2,1-4H3;7-11H2,1-6H3
• InChIKey: KQXCQINKOUKDSA-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 43
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.76
LogP ≤ 5	24.53
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'}

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate?

The IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate (CID 159214553) is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate?

The canonical SMILES for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.CCC(C)(C)C(=O)OCCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCCCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCCCCC(=O)OC(C)(C)C.CCC1(OC(=O)CCOC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCCC1.

What is the InChIKey of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate?

The InChIKey is KQXCQINKOUKDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4.3C16H28O4.2C15H26O4.C15H28O4/c1-5-18(2,3)17(21)22-11-16(20)23-19(4)14-7-12-6-13(9-14)10-15(19)8-12;1-5-15(2,3)14(18)19-12-8-9-13(17)20-16(4)10-6-7-11-16;1-5-15(3,4)14(18)19-12-9-13(17)20-16(6-2)10-7-8-11-16;1-5-15(3,4)14(18)19-12-13(17)20-16(6-2)10-8-7-9-11-16;1-5-14(2,3)13(17)18-11-8-12(16)19-15(4)9-6-7-10-15;1-5-14(2,3)13(17)18-11-12(16)19-15(4)9-7-6-8-10-15;1-7-15(5,6)13(17)18-11-9-8-10-12(16)19-14(2,3)4/h12-15H,5-11H2,1-4H3;3*5-12H2,1-4H3;2*5-11H2,1-4H3;7-11H2,1-6H3.

What are the key properties of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate?

[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate has a molecular weight of 1988.76 g/mol, XLogP of 24.53, 43 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[4-(1-methylcyclopentyl)oxy-4-oxobutyl] 2,2-dimethylbutanoate;[3-(1-methylcyclopentyl)oxy-3-oxopropyl] 2,2-dimethylbutanoate;[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 159214553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).