3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione

C20H36O8Si3 — CID 58841242

IUPAC3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione
SMILESC[Si](C)(CCCC1CC(=O)OC1=O)O[Si](C)(C)O[Si](C)(C)CCCC1CC(=O)OC1=O
InChIInChI=1S/C20H36O8Si3/c1-29(2,11-7-9-15-13-17(21)25-19(15)23)27-31(5,6)28-30(3,4)12-8-10-16-14-18(22)26-20(16)24/h15-16H,7-14H2,1-6H3
InChIKeyYWAMOQYJHDCRLS-UHFFFAOYSA-N
MW488.76 g/mol
LogP3.87
Rot. Bonds12

About 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione

3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione (PubChem CID 58841242) has the molecular formula C20H36O8Si3 and a molecular weight of 488.76 g/mol. Its IUPAC name is 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione
PubChem CID58841242
Molecular FormulaC20H36O8Si3
Molecular Weight488.76 g/mol
Exact Mass488.17
IUPAC Name3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione
SMILESC[Si](C)(CCCC1CC(=O)OC1=O)O[Si](C)(C)O[Si](C)(C)CCCC1CC(=O)OC1=O
InChIInChI=1S/C20H36O8Si3/c1-29(2,11-7-9-15-13-17(21)25-19(15)23)27-31(5,6)28-30(3,4)12-8-10-16-14-18(22)26-20(16)24/h15-16H,7-14H2,1-6H3
InChIKeyYWAMOQYJHDCRLS-UHFFFAOYSA-N
XLogP3.87
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione (CID 58841242) is 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione is C[Si](C)(CCCC1CC(=O)OC1=O)O[Si](C)(C)O[Si](C)(C)CCCC1CC(=O)OC1=O.
What is the InChIKey of 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione?
The InChIKey is YWAMOQYJHDCRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O8Si3/c1-29(2,11-7-9-15-13-17(21)25-19(15)23)27-31(5,6)28-30(3,4)12-8-10-16-14-18(22)26-20(16)24/h15-16H,7-14H2,1-6H3.
What are the key properties of 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione?
3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione has a molecular weight of 488.76 g/mol, XLogP of 3.87, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[[3-(2,5-dioxooxolan-3-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 58841242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).