2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium

C146H256N9O20+9 — CID 164958973

About 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium

2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium (PubChem CID 164958973) has the molecular formula C146H256N9O20+9 and a molecular weight of 2457.70 g/mol. Its IUPAC name is 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium.

Molecular Properties

• Compound Name: 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium
• PubChem CID: 164958973
• Molecular Formula: C146H256N9O20+9
• Molecular Weight: 2457.70 g/mol
• Exact Mass: 2455.92
• IUPAC Name: 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium
• SMILES: CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CCC.CCCC.CCCCC.C[N+](C)(C)CCOC(=O)COC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.Cc1c(C)c(C)c(C(=O)OCC[N+](C)(C)C)c(C)c1C
• InChI: InChI=1S/C17H28NO2.C14H20NO4.7C12H18NO2.2C5H12.2C4H10.C3H8.5C2H6/c1-11-12(2)14(4)16(15(5)13(11)3)17(19)20-10-9-18(6,7)8;1-15(2,3)9-10-18-13(16)11-19-14(17)12-7-5-4-6-8-12;7*1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-5(2,3)4;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;5*1-2/h9-10H2,1-8H3;4-8H,9-11H2,1-3H3;7*4-8H,9-10H2,1-3H3;1-4H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;5*1-2H3/q9*+1
• InChIKey: BOFMGOFAWJBHKP-UHFFFAOYSA-N
• XLogP: 29.30
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 41
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.70
LogP ≤ 5	29.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium?

The IUPAC name of 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium (CID 164958973) is 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium.

What is the SMILES notation for 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium?

The canonical SMILES for 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium is CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CCC.CCCC.CCCCC.C[N+](C)(C)CCOC(=O)COC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.Cc1c(C)c(C)c(C(=O)OCC[N+](C)(C)C)c(C)c1C.

What is the InChIKey of 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium?

The InChIKey is BOFMGOFAWJBHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NO2.C14H20NO4.7C12H18NO2.2C5H12.2C4H10.C3H8.5C2H6/c1-11-12(2)14(4)16(15(5)13(11)3)17(19)20-10-9-18(6,7)8;1-15(2,3)9-10-18-13(16)11-19-14(17)12-7-5-4-6-8-12;7*1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-5(2,3)4;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;5*1-2/h9-10H2,1-8H3;4-8H,9-11H2,1-3H3;7*4-8H,9-10H2,1-3H3;1-4H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;5*1-2H3/q9*+1;;;;;;;;;;.

What are the key properties of 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium?

2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium has a molecular weight of 2457.70 g/mol, XLogP of 29.30, 41 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;heptakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2,2-dimethylpropane;ethane;2-methylpropane;pentane;propane;trimethyl-[2-(2,3,4,5,6-pentamethylbenzoyl)oxyethyl]azanium is sourced from PubChem (CID 164958973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).