[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate

C91H162O23 — CID 90847089

About [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate

[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate (PubChem CID 90847089) has the molecular formula C91H162O23 and a molecular weight of 1624.27 g/mol. Its IUPAC name is [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate
• PubChem CID: 90847089
• Molecular Formula: C91H162O23
• Molecular Weight: 1624.27 g/mol
• Exact Mass: 1623.15
• IUPAC Name: [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)OC12CC3CC4C5CC(CC41)CC2C5C3.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)C.CCC(C)(C)OC(=O)CCCOC(=O)C(C)(C)CC.CCC(C)(C)OC(=O)COC(=O)C(C)(C)CC
• InChI: InChI=1S/C22H34O3.2C15H28O4.C14H26O4.C13H24O4.C12H22O4/c1-5-21(3,4)20(23)24-12(2)25-22-11-14-7-16-15-6-13(9-18(16)22)10-19(22)17(15)8-14;1-9-14(5,6)12(17)18-10-11(16)19-15(7,8)13(2,3)4;1-7-14(3,4)13(17)18-11-9-10-12(16)19-15(5,6)8-2;1-8-13(4,5)12(16)17-9-11(15)18-14(6,7)10(2)3;1-7-12(3,4)11(15)16-9-10(14)17-13(5,6)8-2;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4/h12-19H,5-11H2,1-4H3;9-10H2,1-8H3;7-11H2,1-6H3;10H,8-9H2,1-7H3;7-9H2,1-6H3;7-8H2,1-6H3
• InChIKey: NMDRMYBXCKMSEO-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 298.53 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.27
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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 [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate?

The IUPAC name of [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate (CID 90847089) is [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate.

What is the SMILES notation for [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate?

The canonical SMILES for [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)OC12CC3CC4C5CC(CC41)CC2C5C3.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)C.CCC(C)(C)OC(=O)CCCOC(=O)C(C)(C)CC.CCC(C)(C)OC(=O)COC(=O)C(C)(C)CC.

What is the InChIKey of [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate?

The InChIKey is NMDRMYBXCKMSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3.2C15H28O4.C14H26O4.C13H24O4.C12H22O4/c1-5-21(3,4)20(23)24-12(2)25-22-11-14-7-16-15-6-13(9-18(16)22)10-19(22)17(15)8-14;1-9-14(5,6)12(17)18-10-11(16)19-15(7,8)13(2,3)4;1-7-14(3,4)13(17)18-11-9-10-12(16)19-15(5,6)8-2;1-8-13(4,5)12(16)17-9-11(15)18-14(6,7)10(2)3;1-7-12(3,4)11(15)16-9-10(14)17-13(5,6)8-2;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4/h12-19H,5-11H2,1-4H3;9-10H2,1-8H3;7-11H2,1-6H3;10H,8-9H2,1-7H3;7-9H2,1-6H3;7-8H2,1-6H3.

What are the key properties of [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate?

[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate has a molecular weight of 1624.27 g/mol, XLogP of 19.55, 34 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 90847089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).