butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)

C132H243N4O44P — CID 161273822

About butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)

butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate) (PubChem CID 161273822) has the molecular formula C132H243N4O44P and a molecular weight of 2621.35 g/mol. Its IUPAC name is butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate).

Molecular Properties

• Compound Name: butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)
• PubChem CID: 161273822
• Molecular Formula: C132H243N4O44P
• Molecular Weight: 2621.35 g/mol
• Exact Mass: 2619.66
• IUPAC Name: butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)
• SMILES: CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)O.CCC(C)(C)C(=O)OCCP(=O)(O)O.CCCCC(CC)COC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCCOC(=O)NCCOCCOC(=O)C(C)(C)CC.CCCCOC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC
• InChI: InChI=1S/C25H47NO7.2C23H43NO6.C19H35NO6.C16H26O6.C12H20O6.C8H17O5P.C6H12O2/c1-6-9-13-21(7-2)20-33-22(27)14-11-10-12-16-32-24(29)26-15-17-30-18-19-31-23(28)25(4,5)8-3;2*1-6-9-13-19(7-2)18-30-20(25)14-11-10-12-16-29-22(27)24-15-17-28-21(26)23(4,5)8-3;1-5-7-13-24-16(21)11-9-8-10-14-26-18(23)20-12-15-25-17(22)19(3,4)6-2;1-4-16(2,3)15(20)22-10-9-21-14(19)12-8-6-5-7-11(12)13(17)18;1-4-12(2,3)11(16)18-8-7-17-10(15)6-5-9(13)14;1-4-8(2,3)7(9)13-5-6-14(10,11)12;1-4-6(2,3)5(7)8/h21H,6-20H2,1-5H3,(H,26,29);2*19H,6-18H2,1-5H3,(H,24,27);5-15H2,1-4H3,(H,20,23);11-12H,4-10H2,1-3H3,(H,17,18);4-8H2,1-3H3,(H,13,14);4-6H2,1-3H3,(H2,10,11,12);4H2,1-3H3,(H,7,8)
• InChIKey: VEEDLXQQPQSABZ-UHFFFAOYSA-N
• XLogP: 25.07
• TPSA: 673.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 90
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.35
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)?

The IUPAC name of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate) (CID 161273822) is butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate).

What is the SMILES notation for butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)?

The canonical SMILES for butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate) is CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)O.CCC(C)(C)C(=O)OCCP(=O)(O)O.CCCCC(CC)COC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCCOC(=O)NCCOCCOC(=O)C(C)(C)CC.CCCCOC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC.

What is the InChIKey of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)?

The InChIKey is VEEDLXQQPQSABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO7.2C23H43NO6.C19H35NO6.C16H26O6.C12H20O6.C8H17O5P.C6H12O2/c1-6-9-13-21(7-2)20-33-22(27)14-11-10-12-16-32-24(29)26-15-17-30-18-19-31-23(28)25(4,5)8-3;2*1-6-9-13-19(7-2)18-30-20(25)14-11-10-12-16-29-22(27)24-15-17-28-21(26)23(4,5)8-3;1-5-7-13-24-16(21)11-9-8-10-14-26-18(23)20-12-15-25-17(22)19(3,4)6-2;1-4-16(2,3)15(20)22-10-9-21-14(19)12-8-6-5-7-11(12)13(17)18;1-4-12(2,3)11(16)18-8-7-17-10(15)6-5-9(13)14;1-4-8(2,3)7(9)13-5-6-14(10,11)12;1-4-6(2,3)5(7)8/h21H,6-20H2,1-5H3,(H,26,29);2*19H,6-18H2,1-5H3,(H,24,27);5-15H2,1-4H3,(H,20,23);11-12H,4-10H2,1-3H3,(H,17,18);4-8H2,1-3H3,(H,13,14);4-6H2,1-3H3,(H2,10,11,12);4H2,1-3H3,(H,7,8).

What are the key properties of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate)?

butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate) has a molecular weight of 2621.35 g/mol, XLogP of 25.07, 90 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;2-ethylhexyl 6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoate;bis(2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate) is sourced from PubChem (CID 161273822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).