6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one

C38H100O10Si13 — CID 157366787

About 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one

6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one (PubChem CID 157366787) has the molecular formula C38H100O10Si13 and a molecular weight of 1082.33 g/mol. Its IUPAC name is 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one.

Molecular Properties

• Compound Name: 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one
• PubChem CID: 157366787
• Molecular Formula: C38H100O10Si13
• Molecular Weight: 1082.33 g/mol
• Exact Mass: 1080.43
• IUPAC Name: 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one
• SMILES: C=C(C)C(=O)CCCO[Si](C)(C)CC[Si](O[Si](C)(C)CC[SiH2]O[Si](C)(C)C)(O[Si](C)(C)CC[SiH2]O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C38H100O10Si13/c1-37(2)38(39)27-26-28-40-56(18,19)33-35-61(46-57(20,21)31-29-49-41-51(3,4)5,47-58(22,23)32-30-50-42-52(6,7)8)48-59(24,25)34-36-60(43-53(9,10)11,44-54(12,13)14)45-55(15,16)17/h1,26-36,49-50H2,2-25H3
• InChIKey: ZBRRAXQRFWZXHK-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 100.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 34
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.33
LogP ≤ 5	11.94
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'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one?

The IUPAC name of 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one (CID 157366787) is 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one.

What is the SMILES notation for 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one?

The canonical SMILES for 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CCCO[Si](C)(C)CC[Si](O[Si](C)(C)CC[SiH2]O[Si](C)(C)C)(O[Si](C)(C)CC[SiH2]O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one?

The InChIKey is ZBRRAXQRFWZXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H100O10Si13/c1-37(2)38(39)27-26-28-40-56(18,19)33-35-61(46-57(20,21)31-29-49-41-51(3,4)5,47-58(22,23)32-30-50-42-52(6,7)8)48-59(24,25)34-36-60(43-53(9,10)11,44-54(12,13)14)45-55(15,16)17/h1,26-36,49-50H2,2-25H3.

What are the key properties of 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one?

6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one has a molecular weight of 1082.33 g/mol, XLogP of 11.94, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[bis[[dimethyl(2-trimethylsilyloxysilylethyl)silyl]oxy]-[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxysilyl]ethyl-dimethylsilyl]oxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 157366787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).