3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione

C24H56O8Si6 — CID 140777157

IUPAC3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione
SMILESCCCCCC[Si](C)(O[SiH](C)O[Si](C)(CCCC1CC(=O)OC1=O)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H56O8Si6/c1-13-14-15-16-19-37(11,31-35(6,7)8)28-33(2)29-38(12,32-36(9,10)30-34(3,4)5)20-17-18-22-21-23(25)27-24(22)26/h22,33H,13-21H2,1-12H3
InChIKeyHNSHHBKQFCRLPP-UHFFFAOYSA-N
MW641.22 g/mol
LogP6.89
Rot. Bonds19

About 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione

3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione (PubChem CID 140777157) has the molecular formula C24H56O8Si6 and a molecular weight of 641.22 g/mol. Its IUPAC name is 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione
PubChem CID140777157
Molecular FormulaC24H56O8Si6
Molecular Weight641.22 g/mol
Exact Mass640.26
IUPAC Name3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione
SMILESCCCCCC[Si](C)(O[SiH](C)O[Si](C)(CCCC1CC(=O)OC1=O)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H56O8Si6/c1-13-14-15-16-19-37(11,31-35(6,7)8)28-33(2)29-38(12,32-36(9,10)30-34(3,4)5)20-17-18-22-21-23(25)27-24(22)26/h22,33H,13-21H2,1-12H3
InChIKeyHNSHHBKQFCRLPP-UHFFFAOYSA-N
XLogP6.89
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.22
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione with MolForge

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Related Compounds

[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 167428332
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-dotriacontyloxolane-2,5-dione
CID 14694279
3-tetratetracontyloxolane-2,5-dione
CID 14694291
3-[3-[dimethylsilyloxy(dimethyl)silyl]propyl]oxolane-2,5-dione
CID 140795995
3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 23116723
[dimethyl-[methyl(trimethylsilyloxy)silyl]oxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilane
CID 59863622
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
1,4-dioxane;3-octyloxolane-2,5-dione
CID 162186164
3-(3-tripropoxysilylpropyl)oxolane-2,5-dione
CID 152641894
3-[(E)-docos-5-enyl]oxolane-2,5-dione
CID 101277078
3-[(E)-henicos-10-enyl]oxolane-2,5-dione
CID 101277064

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione (CID 140777157) is 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione is CCCCCC[Si](C)(O[SiH](C)O[Si](C)(CCCC1CC(=O)OC1=O)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione?
The InChIKey is HNSHHBKQFCRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56O8Si6/c1-13-14-15-16-19-37(11,31-35(6,7)8)28-33(2)29-38(12,32-36(9,10)30-34(3,4)5)20-17-18-22-21-23(25)27-24(22)26/h22,33H,13-21H2,1-12H3.
What are the key properties of 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione?
3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione has a molecular weight of 641.22 g/mol, XLogP of 6.89, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(hexyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]oxy-methylsilyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 140777157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).