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

C36H74O14Si3 — CID 146912858

IUPAC2-[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
SMILESC=C(C)C(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C36H74O14Si3/c1-33(2)35(37)11-12-36(38)48-30-29-46-26-25-44-22-21-42-18-17-40-14-13-39-15-16-41-19-20-43-23-24-45-27-28-47-31-34(3)32-53(10,49-51(4,5)6)50-52(7,8)9/h34H,1,11-32H2,2-10H3
InChIKeyABQNSGFMVVXTOZ-UHFFFAOYSA-N
MW815.23 g/mol
LogP5.02
Rot. Bonds39

About 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

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 (PubChem CID 146912858) has the molecular formula C36H74O14Si3 and a molecular weight of 815.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID146912858
Molecular FormulaC36H74O14Si3
Molecular Weight815.23 g/mol
Exact Mass814.44
IUPAC Name2-[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
SMILESC=C(C)C(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C36H74O14Si3/c1-33(2)35(37)11-12-36(38)48-30-29-46-26-25-44-22-21-42-18-17-40-14-13-39-15-16-41-19-20-43-23-24-45-27-28-47-31-34(3)32-53(10,49-51(4,5)6)50-52(7,8)9/h34H,1,11-32H2,2-10H3
InChIKeyABQNSGFMVVXTOZ-UHFFFAOYSA-N
XLogP5.02
TPSA144.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds39
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.23
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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'}

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Related Compounds

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
[3-[2-[3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropoxy]ethoxy]-2-hydroxypropyl] 5-methyl-4-oxohex-5-enoate
CID 149157353
6-[2-[3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
CID 157897299
[2-Hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
CID 158198822
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
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
2-[3-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate
CID 160604553
6-[2-[3-(Hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
CID 162082218
[2-Hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
CID 162082219

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 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?
The InChIKey is ABQNSGFMVVXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O14Si3/c1-33(2)35(37)11-12-36(38)48-30-29-46-26-25-44-22-21-42-18-17-40-14-13-39-15-16-41-19-20-43-23-24-45-27-28-47-31-34(3)32-53(10,49-51(4,5)6)50-52(7,8)9/h34H,1,11-32H2,2-10H3.
What are the key properties of 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?
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 has a molecular weight of 815.23 g/mol, XLogP of 5.02, 39 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146912858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).