tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate

C146H286O24 — CID 162042185

About tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate (PubChem CID 162042185) has the molecular formula C146H286O24 and a molecular weight of 2425.87 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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 162042185
• Molecular Formula: C146H286O24
• Molecular Weight: 2425.87 g/mol
• Exact Mass: 2424.12
• IUPAC Name: tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate
• SMILES: CC.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)(CC)C(C)C.CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.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.CCCC(C)(C)OC(=O)C(C)(C)CC.CCCCC(C)(C)OC(=O)C(C)(C)CC.CCCCC(C)(CC)OC(=O)C(C)(C)CC
• InChI: InChI=1S/C19H30O4.3C14H28O2.2C13H26O2.3C12H24O2.C11H22O2.C10H20O2.C2H6/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;1-8-11(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;1-7-10-11-14(6,9-3)16-12(15)13(4,5)8-2;1-9-12(5,6)10(14)15-13(7,8)11(2,3)4;1-7-9-10-13(5,6)15-11(14)12(3,4)8-2;1-8-11(4,5)10(13)14-12(6,7)9(2)3;1-7-9-12(5,6)14-10(13)11(3,4)8-2;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;1-2/h12-15H,5-11H2,1-4H3;2*11H,8-10H2,1-7H3;7-11H2,1-6H3;9H2,1-8H3;7-10H2,1-6H3;9H,8H2,1-7H3;2*7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3;1-2H3
• InChIKey: YXKSGICPAWUSSC-UHFFFAOYSA-N
• XLogP: 41.57
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 53
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2425.87
LogP ≤ 5	41.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate (CID 162042185) is tert-butyl 2,2-dimethylbutanoate;2,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate is CC.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)(CC)C(C)C.CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.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.CCCC(C)(C)OC(=O)C(C)(C)CC.CCCCC(C)(C)OC(=O)C(C)(C)CC.CCCCC(C)(CC)OC(=O)C(C)(C)CC.

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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,3,3-trimethylbutan-2-yl 2,2-dimethylbutanoate?

The InChIKey is YXKSGICPAWUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4.3C14H28O2.2C13H26O2.3C12H24O2.C11H22O2.C10H20O2.C2H6/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;1-8-11(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;1-7-10-11-14(6,9-3)16-12(15)13(4,5)8-2;1-9-12(5,6)10(14)15-13(7,8)11(2,3)4;1-7-9-10-13(5,6)15-11(14)12(3,4)8-2;1-8-11(4,5)10(13)14-12(6,7)9(2)3;1-7-9-12(5,6)14-10(13)11(3,4)8-2;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;1-2/h12-15H,5-11H2,1-4H3;2*11H,8-10H2,1-7H3;7-11H2,1-6H3;9H2,1-8H3;7-10H2,1-6H3;9H,8H2,1-7H3;2*7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3;1-2H3.

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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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 2425.87 g/mol, XLogP of 41.57, 53 rotatable bonds, 0 hydrogen bond donors, and 24 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;ethane;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;2-methylhexan-2-yl 2,2-dimethylbutanoate;2-methylpentan-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 162042185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).