3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate

C183H366O26 — CID 157388685

About 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate

3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate (PubChem CID 157388685) has the molecular formula C183H366O26 and a molecular weight of 2982.91 g/mol. Its IUPAC name is 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate
• PubChem CID: 157388685
• Molecular Formula: C183H366O26
• Molecular Weight: 2982.91 g/mol
• Exact Mass: 2980.73
• IUPAC Name: 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(C)(CC)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)(CC)OC(=O)C(C)(C)CC.CCC(C)C(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(CC)OC(=O)C(C)(C)CC.CCCC(C)(CC)OC(=O)C(C)(C)CC.CCCC(CC)(CC)OC(=O)C(C)(C)CC.CCCC(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCCC(C)(CC)OC(=O)C(C)(C)CC.CCCCC(CC)(CC)OC(=O)C(C)(C)CC
• InChI: InChI=1S/5C15H30O2.5C14H28O2.2C13H26O2.C12H24O2/c1-9-14(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;1-8-12(5)15(10-3,11-4)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;1-9-13(6,7)11(15)16-14(8,10-2)12(3,4)5;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;1-7-11-14(9-3,10-4)16-12(15)13(5,6)8-2;1-8-12(5,6)11(14)15-13(7,9-2)10(3)4;1-7-10-13(6,9-3)15-11(14)12(4,5)8-2;1-7-11(4,5)10(13)14-12(6,8-2)9-3/h9-11H2,1-8H3;11-12H,9-10H2,1-8H3;2*12H,8-11H2,1-7H3;7-12H2,1-6H3;9-10H2,1-8H3;2*11H,8-10H2,1-7H3;2*7-11H2,1-6H3;10H,8-9H2,1-7H3;7-10H2,1-6H3;7-9H2,1-6H3
• InChIKey: BLSXCFVCHHEXPU-UHFFFAOYSA-N
• XLogP: 55.31
• TPSA: 341.90 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 79
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2982.91
LogP ≤ 5	55.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The IUPAC name of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate (CID 157388685) is 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate.

What is the SMILES notation for 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

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

What is the InChIKey of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The InChIKey is BLSXCFVCHHEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H30O2.5C14H28O2.2C13H26O2.C12H24O2/c1-9-14(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;1-8-12(5)15(10-3,11-4)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;1-9-13(6,7)11(15)16-14(8,10-2)12(3,4)5;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;1-7-11-14(9-3,10-4)16-12(15)13(5,6)8-2;1-8-12(5,6)11(14)15-13(7,9-2)10(3)4;1-7-10-13(6,9-3)15-11(14)12(4,5)8-2;1-7-11(4,5)10(13)14-12(6,8-2)9-3/h9-11H2,1-8H3;11-12H,9-10H2,1-8H3;2*12H,8-11H2,1-7H3;7-12H2,1-6H3;9-10H2,1-8H3;2*11H,8-10H2,1-7H3;2*7-11H2,1-6H3;10H,8-9H2,1-7H3;7-10H2,1-6H3;7-9H2,1-6H3.

What are the key properties of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate has a molecular weight of 2982.91 g/mol, XLogP of 55.31, 79 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-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-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;3-methylpentan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 157388685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).