6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one

C17H36O5Si2 — CID 162082218

IUPAC6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOCCOCC(C)C[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C17H36O5Si2/c1-15(2)17(18)9-8-10-20-11-12-21-13-16(3)14-24(7,19)22-23(4,5)6/h16,19H,1,8-14H2,2-7H3
InChIKeyOOFDGOPDMFHDAA-UHFFFAOYSA-N
MW376.64 g/mol
LogP3.50
Rot. Bonds14

About 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one

6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one (PubChem CID 162082218) has the molecular formula C17H36O5Si2 and a molecular weight of 376.64 g/mol. Its IUPAC name is 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
PubChem CID162082218
Molecular FormulaC17H36O5Si2
Molecular Weight376.64 g/mol
Exact Mass376.21
IUPAC Name6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOCCOCC(C)C[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C17H36O5Si2/c1-15(2)17(18)9-8-10-20-11-12-21-13-16(3)14-24(7,19)22-23(4,5)6/h16,19H,1,8-14H2,2-7H3
InChIKeyOOFDGOPDMFHDAA-UHFFFAOYSA-N
XLogP3.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[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-[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-[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
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one?
The IUPAC name of 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one (CID 162082218) is 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCCOCCOCC(C)C[Si](C)(O)O[Si](C)(C)C.
What is the InChIKey of 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one?
The InChIKey is OOFDGOPDMFHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O5Si2/c1-15(2)17(18)9-8-10-20-11-12-21-13-16(3)14-24(7,19)22-23(4,5)6/h16,19H,1,8-14H2,2-7H3.
What are the key properties of 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one?
6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one has a molecular weight of 376.64 g/mol, XLogP of 3.50, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]-2-methylhex-1-en-3-one is sourced from PubChem (CID 162082218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).