tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate

C194H388O28 — CID 159866571

About tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate

tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate (PubChem CID 159866571) has the molecular formula C194H388O28 and a molecular weight of 3169.21 g/mol. Its IUPAC name is tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 159866571
• Molecular Formula: C194H388O28
• Molecular Weight: 3169.21 g/mol
• Exact Mass: 3166.89
• IUPAC Name: tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)C.CCC(C)(C)OC(=O)C(C)(C)CC.CCC(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCC(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCCC(CC)(CC)OC(=O)C(C)(C)CC.CCCCC(CC)(OC(=O)C(C)(C)CC)C(C)C
• InChI: InChI=1S/3C16H32O2.4C15H30O2.2C14H28O2.C13H26O2.2C12H24O2.C11H22O2.C10H20O2/c1-10-15(8,9)13(17)18-16(11-2,12(3)4)14(5,6)7;1-9-13(6)16(11-3,12(4)5)18-14(17)15(7,8)10-2;1-8-11-12-16(10-3,13(4)5)18-14(17)15(6,7)9-2;1-9-14(7,8)12(16)17-15(10-2,11-3)13(4,5)6;1-9-14(7,8)13(16)17-15(10-2,11(3)4)12(5)6;1-8-11-15(10-3,12(4)5)17-13(16)14(6,7)9-2;1-7-11-12-15(9-3,10-4)17-13(16)14(5,6)8-2;1-8-11(4)14(7,10-3)16-12(15)13(5,6)9-2;1-8-13(6,7)12(15)16-14(9-2,10-3)11(4)5;1-9-12(5,6)10(14)15-13(7,8)11(2,3)4;1-8-11(4,5)10(13)14-12(6,7)9(2)3;1-7-11(4,5)10(13)14-12(6,8-2)9-3;1-7-10(3,4)9(12)13-11(5,6)8-2;1-7-10(5,6)8(11)12-9(2,3)4/h12H,10-11H2,1-9H3;12-13H,9-11H2,1-8H3;13H,8-12H2,1-7H3;9-11H2,1-8H3;11-12H,9-10H2,1-8H3;12H,8-11H2,1-7H3;7-12H2,1-6H3;2*11H,8-10H2,1-7H3;9H2,1-8H3;9H,8H2,1-7H3;7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3
• InChIKey: NRUMOJQTFDRYPO-UHFFFAOYSA-N
• XLogP: 57.89
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 76
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3169.21
LogP ≤ 5	57.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate (CID 159866571) is tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)C.CCC(C)(C)OC(=O)C(C)(C)CC.CCC(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCC(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCCC(CC)(CC)OC(=O)C(C)(C)CC.CCCCC(CC)(OC(=O)C(C)(C)CC)C(C)C.

What is the InChIKey of tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate?

The InChIKey is NRUMOJQTFDRYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H32O2.4C15H30O2.2C14H28O2.C13H26O2.2C12H24O2.C11H22O2.C10H20O2/c1-10-15(8,9)13(17)18-16(11-2,12(3)4)14(5,6)7;1-9-13(6)16(11-3,12(4)5)18-14(17)15(7,8)10-2;1-8-11-12-16(10-3,13(4)5)18-14(17)15(6,7)9-2;1-9-14(7,8)12(16)17-15(10-2,11-3)13(4,5)6;1-9-14(7,8)13(16)17-15(10-2,11(3)4)12(5)6;1-8-11-15(10-3,12(4)5)17-13(16)14(6,7)9-2;1-7-11-12-15(9-3,10-4)17-13(16)14(5,6)8-2;1-8-11(4)14(7,10-3)16-12(15)13(5,6)9-2;1-8-13(6,7)12(15)16-14(9-2,10-3)11(4)5;1-9-12(5,6)10(14)15-13(7,8)11(2,3)4;1-8-11(4,5)10(13)14-12(6,7)9(2)3;1-7-11(4,5)10(13)14-12(6,8-2)9-3;1-7-10(3,4)9(12)13-11(5,6)8-2;1-7-10(5,6)8(11)12-9(2,3)4/h12H,10-11H2,1-9H3;12-13H,9-11H2,1-8H3;13H,8-12H2,1-7H3;9-11H2,1-8H3;11-12H,9-10H2,1-8H3;12H,8-11H2,1-7H3;7-12H2,1-6H3;2*11H,8-10H2,1-7H3;9H2,1-8H3;9H,8H2,1-7H3;7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3.

What are the key properties of tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate?

tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate has a molecular weight of 3169.21 g/mol, XLogP of 57.89, 76 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylheptan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 159866571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).