bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane

C24H38O7Si2 — CID 159492818

IUPACbis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(C)C.O=C1OC(=O)C2C3CCC(C3)C12.O=C1OC(=O)C2C3CCC(C3)C12
InChIInChI=1S/2C9H10O3.C6H18OSi2/c2*10-8-6-4-1-2-5(3-4)7(6)9(11)12-8;1-8(2,3)7-9(4,5)6/h2*4-7H,1-3H2;1-6H3
InChIKeyLYKHJCQHONMMPY-UHFFFAOYSA-N
MW494.73 g/mol
LogP4.14
Rot. Bonds2

About bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane

bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane (PubChem CID 159492818) has the molecular formula C24H38O7Si2 and a molecular weight of 494.73 g/mol. Its IUPAC name is bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane.

Molecular Properties

Compound Namebis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane
PubChem CID159492818
Molecular FormulaC24H38O7Si2
Molecular Weight494.73 g/mol
Exact Mass494.22
IUPAC Namebis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(C)C.O=C1OC(=O)C2C3CCC(C3)C12.O=C1OC(=O)C2C3CCC(C3)C12
InChIInChI=1S/2C9H10O3.C6H18OSi2/c2*10-8-6-4-1-2-5(3-4)7(6)9(11)12-8;1-8(2,3)7-9(4,5)6/h2*4-7H,1-3H2;1-6H3
InChIKeyLYKHJCQHONMMPY-UHFFFAOYSA-N
XLogP4.14
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.73
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane?
The IUPAC name of bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane (CID 159492818) is bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane.
What is the SMILES notation for bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane?
The canonical SMILES for bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](C)(C)C.O=C1OC(=O)C2C3CCC(C3)C12.O=C1OC(=O)C2C3CCC(C3)C12.
What is the InChIKey of bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane?
The InChIKey is LYKHJCQHONMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O3.C6H18OSi2/c2*10-8-6-4-1-2-5(3-4)7(6)9(11)12-8;1-8(2,3)7-9(4,5)6/h2*4-7H,1-3H2;1-6H3.
What are the key properties of bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane?
bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane has a molecular weight of 494.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane is sourced from PubChem (CID 159492818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).