acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate

C142H232N8O20S6 — CID 159449077

About acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate

acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate (PubChem CID 159449077) has the molecular formula C142H232N8O20S6 and a molecular weight of 2563.86 g/mol. Its IUPAC name is acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate.

Molecular Properties

• Compound Name: acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate
• PubChem CID: 159449077
• Molecular Formula: C142H232N8O20S6
• Molecular Weight: 2563.86 g/mol
• Exact Mass: 2561.57
• IUPAC Name: acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate
• SMILES: CC#N.CC#N.CC(=O)O.CC(=O)O.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CNC(C)=O.CNC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.Cn1cccc1C(C)(C)C
• InChI: InChI=1S/C9H15N.3C8H13N.4C8H12O.6C8H12S.2C3H7NO.5C3H6O2.2C2H3N.2C2H4O2/c1-9(2,3)8-6-5-7-10(8)4;7*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;5*1-8(2,3)7-5-4-6-9-7;2*1-3(5)4-2;5*1-3(4)5-2;2*1-2-3;2*1-2(3)4/h5-7H,1-4H3;3*4-6,9H,1-3H3;10*4-6H,1-3H3;2*1-2H3,(H,4,5);5*1-2H3;2*1H3;2*1H3,(H,3,4)
• InChIKey: FWIZHVTVFLUZOD-UHFFFAOYSA-N
• XLogP: 39.48
• TPSA: 416.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.86
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate?

The IUPAC name of acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate (CID 159449077) is acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate.

What is the SMILES notation for acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate?

The canonical SMILES for acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate is CC#N.CC#N.CC(=O)O.CC(=O)O.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CNC(C)=O.CNC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.Cn1cccc1C(C)(C)C.

What is the InChIKey of acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate?

The InChIKey is FWIZHVTVFLUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.3C8H13N.4C8H12O.6C8H12S.2C3H7NO.5C3H6O2.2C2H3N.2C2H4O2/c1-9(2,3)8-6-5-7-10(8)4;7*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;5*1-8(2,3)7-5-4-6-9-7;2*1-3(5)4-2;5*1-3(4)5-2;2*1-2-3;2*1-2(3)4/h5-7H,1-4H3;3*4-6,9H,1-3H3;10*4-6H,1-3H3;2*1-2H3,(H,4,5);5*1-2H3;2*1H3;2*1H3,(H,3,4).

What are the key properties of acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate?

acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate has a molecular weight of 2563.86 g/mol, XLogP of 39.48, 0 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;bis(acetonitrile);tetrakis(2-tert-butylfuran);2-tert-butyl-1-methylpyrrole;tris(2-tert-butyl-1H-pyrrole);pentakis(2-tert-butylthiophene);3-tert-butylthiophene;bis(N-methylacetamide);methyl acetate is sourced from PubChem (CID 159449077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).