3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate

C19H42O5Si2 — CID 156686334

IUPAC3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate
SMILESCCC(C)(CC(C)(C)COOC)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-11-19(4,15-18(2,3)16-23-21-5)17(20)22-13-12-14-26(9,10)24-25(6,7)8/h11-16H2,1-10H3
InChIKeyHSNTZHSGBXIEBN-UHFFFAOYSA-N
MW406.71 g/mol
LogP5.39
Rot. Bonds13

About 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate

3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate (PubChem CID 156686334) has the molecular formula C19H42O5Si2 and a molecular weight of 406.71 g/mol. Its IUPAC name is 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate.

Molecular Properties

Compound Name3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate
PubChem CID156686334
Molecular FormulaC19H42O5Si2
Molecular Weight406.71 g/mol
Exact Mass406.26
IUPAC Name3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate
SMILESCCC(C)(CC(C)(C)COOC)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-11-19(4,15-18(2,3)16-23-21-5)17(20)22-13-12-14-26(9,10)24-25(6,7)8/h11-16H2,1-10H3
InChIKeyHSNTZHSGBXIEBN-UHFFFAOYSA-N
XLogP5.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 55.39
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 59950490
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-trimethylsilyloxypropoxymethyl)hexanoate
CID 135009712
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20729167
1-O-tert-butyl 5-O-(3-trimethoxysilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 23393508
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023
Methyl 5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]-2-ethyl-2,4,4-trimethylpentanoate
CID 53784532
6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate
CID 54077641
2-Ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid
CID 58351310
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
CID 59046597
6-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2,2,4,5-tetramethylhexanedioate
CID 60032804
1-O-tert-butyl 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-ethyl-4-methylpentanedioate
CID 60125293
Bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
CID 87139235

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate?
The IUPAC name of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate (CID 156686334) is 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate.
What is the SMILES notation for 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate?
The canonical SMILES for 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate is CCC(C)(CC(C)(C)COOC)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate?
The InChIKey is HSNTZHSGBXIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O5Si2/c1-11-19(4,15-18(2,3)16-23-21-5)17(20)22-13-12-14-26(9,10)24-25(6,7)8/h11-16H2,1-10H3.
What are the key properties of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate?
3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate has a molecular weight of 406.71 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-ethyl-2,4,4-trimethyl-5-methylperoxypentanoate is sourced from PubChem (CID 156686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).