6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one

C36H82O12Si6 — CID 158891238

IUPAC6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C36H82O12Si6/c1-16-17-33-49(4,5)44-51(8,9)46-53(12,13)48-54(14,15)47-52(10,11)45-50(6,7)34-19-22-39-24-26-41-28-30-43-32-31-42-29-27-40-25-23-38-21-18-20-36(37)35(2)3/h2,16-34H2,1,3-15H3
InChIKeyJEGLVARJVKANJO-UHFFFAOYSA-N
MW875.56 g/mol
LogP8.50
Rot. Bonds37

About 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one

6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one (PubChem CID 158891238) has the molecular formula C36H82O12Si6 and a molecular weight of 875.56 g/mol. Its IUPAC name is 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one
PubChem CID158891238
Molecular FormulaC36H82O12Si6
Molecular Weight875.56 g/mol
Exact Mass874.44
IUPAC Name6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C36H82O12Si6/c1-16-17-33-49(4,5)44-51(8,9)46-53(12,13)48-54(14,15)47-52(10,11)45-50(6,7)34-19-22-39-24-26-41-28-30-43-32-31-42-29-27-40-25-23-38-21-18-20-36(37)35(2)3/h2,16-34H2,1,3-15H3
InChIKeyJEGLVARJVKANJO-UHFFFAOYSA-N
XLogP8.50
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.56
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

Analyze 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-Methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate
CID 146912858
2-Methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one
CID 148743560
6-[Diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)
CID 157148983
6-[2-[3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
CID 157897299
6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one
CID 158217827
2-Methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one
CID 161083302
6-[2-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one
CID 161267844
2-[2-[2-[2-[2-[2-Methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohex-5-enoate
CID 161401489
6-(2-Dimethylsilyloxyethoxy)-2-methylhex-1-en-3-one
CID 173923975
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
6-[2-[3-(Hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
CID 162082218

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one?
The IUPAC name of 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one (CID 158891238) is 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCCOCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one?
The InChIKey is JEGLVARJVKANJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H82O12Si6/c1-16-17-33-49(4,5)44-51(8,9)46-53(12,13)48-54(14,15)47-52(10,11)45-50(6,7)34-19-22-39-24-26-41-28-30-43-32-31-42-29-27-40-25-23-38-21-18-20-36(37)35(2)3/h2,16-34H2,1,3-15H3.
What are the key properties of 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one?
6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one has a molecular weight of 875.56 g/mol, XLogP of 8.50, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-[2-[2-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylhex-1-en-3-one is sourced from PubChem (CID 158891238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).