bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate

C175H324O18 — CID 157159340

About bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate

bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate (PubChem CID 157159340) has the molecular formula C175H324O18 and a molecular weight of 2716.50 g/mol. Its IUPAC name is bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate
• PubChem CID: 157159340
• Molecular Formula: C175H324O18
• Molecular Weight: 2716.50 g/mol
• Exact Mass: 2714.44
• IUPAC Name: bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C(C)C)C(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(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(C)(C)C.CCC(C)C(OC(=O)C(C)(C)CC)C(C)CC.CCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(C(C)(C)C)cc1.CCC1(OC(=O)C(C)(C)CC)CCCCC1
• InChI: InChI=1S/2C18H30.C15H30O2.C14H26O2.2C14H28O2.2C14H22.C13H26O2.C11H22O2.3C10H20O2/c2*1-9-13(2)14-10-15(17(3,4)5)12-16(11-14)18(6,7)8;1-8-11(4)13(12(5)9-2)17-14(16)15(6,7)10-3;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-9-14(7,8)12(15)16-11(10(2)3)13(4,5)6;1-9-13(6,7)12(15)16-14(8,10(2)3)11(4)5;2*1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-8-13(6,7)12(14)15-11(9(2)3)10(4)5;1-7-11(5,6)9(12)13-8-10(2,3)4;3*1-7-10(5,6)8(11)12-9(2,3)4/h2*10-13H,9H2,1-8H3;11-13H,8-10H2,1-7H3;5-11H2,1-4H3;2*10-11H,9H2,1-8H3;2*7-11H,6H2,1-5H3;9-11H,8H2,1-7H3;7-8H2,1-6H3;3*7H2,1-6H3
• InChIKey: AMEMBGXGOWTSRS-UHFFFAOYSA-N
• XLogP: 52.11
• TPSA: 236.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2716.50
LogP ≤ 5	52.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The IUPAC name of bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate (CID 157159340) is bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate.

What is the SMILES notation for bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The canonical SMILES for bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C(C)C)C(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(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(C)(C)C.CCC(C)C(OC(=O)C(C)(C)CC)C(C)CC.CCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(C(C)(C)C)cc1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.

What is the InChIKey of bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The InChIKey is AMEMBGXGOWTSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H30.C15H30O2.C14H26O2.2C14H28O2.2C14H22.C13H26O2.C11H22O2.3C10H20O2/c2*1-9-13(2)14-10-15(17(3,4)5)12-16(11-14)18(6,7)8;1-8-11(4)13(12(5)9-2)17-14(16)15(6,7)10-3;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-9-14(7,8)12(15)16-11(10(2)3)13(4,5)6;1-9-13(6,7)12(15)16-14(8,10(2)3)11(4)5;2*1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-8-13(6,7)12(14)15-11(9(2)3)10(4)5;1-7-11(5,6)9(12)13-8-10(2,3)4;3*1-7-10(5,6)8(11)12-9(2,3)4/h2*10-13H,9H2,1-8H3;11-13H,8-10H2,1-7H3;5-11H2,1-4H3;2*10-11H,9H2,1-8H3;2*7-11H,6H2,1-5H3;9-11H,8H2,1-7H3;7-8H2,1-6H3;3*7H2,1-6H3.

What are the key properties of bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate?

bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate has a molecular weight of 2716.50 g/mol, XLogP of 52.11, 42 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-butan-2-yl-4-tert-butylbenzene);bis(1-butan-2-yl-3,5-ditert-butylbenzene);tris(tert-butyl 2,2-dimethylbutanoate);3,5-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2,2-dimethylpropyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2,2,4-trimethylpentan-3-yl 2,2-dimethylbutanoate;2,3,4-trimethylpentan-3-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 157159340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).