8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

C22H32O10Si3 — CID 177294823

IUPAC8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC[Si](C)(O[Si](C)(C)C1CC2OC1C1C(=O)OC(=O)C21)O[Si](C)(C)C1CC2OC1C1C(=O)OC(=O)C21
InChIInChI=1S/C22H32O10Si3/c1-33(2,11-7-9-13-15(17(11)27-9)21(25)29-19(13)23)31-35(5,6)32-34(3,4)12-8-10-14-16(18(12)28-10)22(26)30-20(14)24/h9-18H,7-8H2,1-6H3
InChIKeyLFSCZJQJDCIHDQ-UHFFFAOYSA-N
MW540.75 g/mol
LogP1.85
Rot. Bonds6

About 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 177294823) has the molecular formula C22H32O10Si3 and a molecular weight of 540.75 g/mol. Its IUPAC name is 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID177294823
Molecular FormulaC22H32O10Si3
Molecular Weight540.75 g/mol
Exact Mass540.13
IUPAC Name8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC[Si](C)(O[Si](C)(C)C1CC2OC1C1C(=O)OC(=O)C21)O[Si](C)(C)C1CC2OC1C1C(=O)OC(=O)C21
InChIInChI=1S/C22H32O10Si3/c1-33(2,11-7-9-13-15(17(11)27-9)21(25)29-19(13)23)31-35(5,6)32-34(3,4)12-8-10-14-16(18(12)28-10)22(26)30-20(14)24/h9-18H,7-8H2,1-6H3
InChIKeyLFSCZJQJDCIHDQ-UHFFFAOYSA-N
XLogP1.85
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.75
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (CID 177294823) is 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is C[Si](C)(O[Si](C)(C)C1CC2OC1C1C(=O)OC(=O)C21)O[Si](C)(C)C1CC2OC1C1C(=O)OC(=O)C21.
What is the InChIKey of 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is LFSCZJQJDCIHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O10Si3/c1-33(2,11-7-9-13-15(17(11)27-9)21(25)29-19(13)23)31-35(5,6)32-34(3,4)12-8-10-14-16(18(12)28-10)22(26)30-20(14)24/h9-18H,7-8H2,1-6H3.
What are the key properties of 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 540.75 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[[(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 177294823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).