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'}

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Related Compounds

(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98048036
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98048070
(1R,2S,6R,7S)-4-oxatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 87492074
(1S,2R,3R,6S,7S,8R)-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-10,12-dione
CID 11287707
11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-2(7)-ene-10,12-dione
CID 12651755
(1R,3R,6R,8R,9R,13R)-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-2(7)-ene-10,12-dione
CID 98557799
(1S,5S)-3-oxabicyclo[3.2.1]octane-2,4-dione
CID 98047957
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807
(1S,2S,6R,7R)-8,9-bis(trimethylsilyloxy)-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 12528306
8-[[[[[[[[[[(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58300657
4,7-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CID 549393
(1S,11R)-6,14-dioxahexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane-5,7,13,15-tetrone
CID 130369269

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).