sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride

C62H158ClFN3NaO16Si15 — CID 158239437

About sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride

sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride (PubChem CID 158239437) has the molecular formula C62H158ClFN3NaO16Si15 and a molecular weight of 1700.68 g/mol. Its IUPAC name is sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride.

Molecular Properties

• Compound Name: sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride
• PubChem CID: 158239437
• Molecular Formula: C62H158ClFN3NaO16Si15
• Molecular Weight: 1700.68 g/mol
• Exact Mass: 1697.78
• IUPAC Name: sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride
• SMILES: C.C=C.C=C.C=COC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C=COC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C=CO[Si](C)(C)C.C=CO[Si](C)(C)C.CC=O.C[Si](C)(C)Cl.C[Si](C)(C)O[Si](CCCN)(O[Si](C)(C)C)O[Si](C)(C)C.[F-].[Na+]
• InChI: InChI=1S/2C15H37NO5Si4.C12H35NO3Si4.2C5H12OSi.C3H9ClSi.C2H4O.2C2H4.CH4.FH.Na/c2*1-11-18-15(17)16-13-12-14-25(19-22(2,3)4,20-23(5,6)7)21-24(8,9)10;1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9;2*1-5-6-7(2,3)4;1-5(2,3)4;1-2-3;2*1-2;;;/h2*11H,1,12-14H2,2-10H3,(H,16,17);10-13H2,1-9H3;2*5H,1H2,2-4H3;1-3H3;2H,1H3;2*1-2H2;1H4;1H;/q;;;;;;;;;;;+1/p-1
• InChIKey: GFJDQBLTXNFBCK-UHFFFAOYSA-M
• XLogP: 15.78
• TPSA: 221.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 35
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.68
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride?

The IUPAC name of sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride (CID 158239437) is sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride.

What is the SMILES notation for sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride?

The canonical SMILES for sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride is C.C=C.C=C.C=COC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C=COC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C=CO[Si](C)(C)C.C=CO[Si](C)(C)C.CC=O.C[Si](C)(C)Cl.C[Si](C)(C)O[Si](CCCN)(O[Si](C)(C)C)O[Si](C)(C)C.[F-].[Na+].

What is the InChIKey of sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride?

The InChIKey is GFJDQBLTXNFBCK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C15H37NO5Si4.C12H35NO3Si4.2C5H12OSi.C3H9ClSi.C2H4O.2C2H4.CH4.FH.Na/c2*1-11-18-15(17)16-13-12-14-25(19-22(2,3)4,20-23(5,6)7)21-24(8,9)10;1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9;2*1-5-6-7(2,3)4;1-5(2,3)4;1-2-3;2*1-2;;;/h2*11H,1,12-14H2,2-10H3,(H,16,17);10-13H2,1-9H3;2*5H,1H2,2-4H3;1-3H3;2H,1H3;2*1-2H2;1H4;1H;/q;;;;;;;;;;;+1/p-1.

What are the key properties of sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride?

sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride has a molecular weight of 1700.68 g/mol, XLogP of 15.78, 35 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetaldehyde;chloro(trimethyl)silane;ethene;bis(ethenoxy(trimethyl)silane);bis(ethenyl N-[3-tris(trimethylsilyloxy)silylpropyl]carbamate);methane;3-tris(trimethylsilyloxy)silylpropan-1-amine;fluoride is sourced from PubChem (CID 158239437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).