3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate

C108H58O10Si12 — CID 158297591

About 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate

3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate (PubChem CID 158297591) has the molecular formula C108H58O10Si12 and a molecular weight of 1852.67 g/mol. Its IUPAC name is 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate.

Molecular Properties

• Compound Name: 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate
• PubChem CID: 158297591
• Molecular Formula: C108H58O10Si12
• Molecular Weight: 1852.67 g/mol
• Exact Mass: 1850.13
• IUPAC Name: 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate
• SMILES: C#CC#CC#C[Si](C#CC#CC#C)(C#CC#CC#C)O[SiH2]CC[Si](C)(C)O[Si](CCCOC(=O)C=C)(O[Si](C)(C)CC[SiH2]O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C)O[Si](C)(C)CC[Si](O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C)(O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C)O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C
• InChI: InChI=1S/C108H58O10Si12/c1-23-39-54-69-88-124(89-70-55-40-24-2,90-71-56-41-25-3)111-119-86-104-121(17,18)113-129(103-84-85-110-108(109)38-16,114-122(19,20)105-87-120-112-125(91-72-57-42-26-4,92-73-58-43-27-5)93-74-59-44-28-6)115-123(21,22)106-107-130(116-126(94-75-60-45-29-7,95-76-61-46-30-8)96-77-62-47-31-9,117-127(97-78-63-48-32-10,98-79-64-49-33-11)99-80-65-50-34-12)118-128(100-81-66-51-35-13,101-82-67-52-36-14)102-83-68-53-37-15/h1-15,38H,16,84-87,103-107,119-120H2,17-22H3
• InChIKey: NLMYCIYIKVLUMG-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 100.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1852.67
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate?

The IUPAC name of 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate (CID 158297591) is 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate.

What is the SMILES notation for 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate?

The canonical SMILES for 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate is C#CC#CC#C[Si](C#CC#CC#C)(C#CC#CC#C)O[SiH2]CC[Si](C)(C)O[Si](CCCOC(=O)C=C)(O[Si](C)(C)CC[SiH2]O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C)O[Si](C)(C)CC[Si](O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C)(O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C)O[Si](C#CC#CC#C)(C#CC#CC#C)C#CC#CC#C.

What is the InChIKey of 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate?

The InChIKey is NLMYCIYIKVLUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H58O10Si12/c1-23-39-54-69-88-124(89-70-55-40-24-2,90-71-56-41-25-3)111-119-86-104-121(17,18)113-129(103-84-85-110-108(109)38-16,114-122(19,20)105-87-120-112-125(91-72-57-42-26-4,92-73-58-43-27-5)93-74-59-44-28-6)115-123(21,22)106-107-130(116-126(94-75-60-45-29-7,95-76-61-46-30-8)96-77-62-47-31-9,117-127(97-78-63-48-32-10,98-79-64-49-33-11)99-80-65-50-34-12)118-128(100-81-66-51-35-13,101-82-67-52-36-14)102-83-68-53-37-15/h1-15,38H,16,84-87,103-107,119-120H2,17-22H3.

What are the key properties of 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate?

3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate has a molecular weight of 1852.67 g/mol, XLogP of 3.15, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[bis[[dimethyl-[2-tris(hexa-1,3,5-triynyl)silyloxysilylethyl]silyl]oxy]-[dimethyl-[2-tris[tris(hexa-1,3,5-triynyl)silyloxy]silylethyl]silyl]oxysilyl]propyl prop-2-enoate is sourced from PubChem (CID 158297591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).