1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate

C24H44O6Si2 — CID 20754309

IUPAC1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
SMILESCC1CCCOC1C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C24H44O6Si2/c1-16-11-10-12-28-20(16)19-18(21(25)30-22(19)26)13-24(2,3)23(27)29-17(14-31(4,5)6)15-32(7,8)9/h16-20H,10-15H2,1-9H3
InChIKeyXLMAPJPTHGCBQM-UHFFFAOYSA-N
MW484.78 g/mol
LogP5.12
Rot. Bonds9

About 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate

1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate (PubChem CID 20754309) has the molecular formula C24H44O6Si2 and a molecular weight of 484.78 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate.

Molecular Properties

Compound Name1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
PubChem CID20754309
Molecular FormulaC24H44O6Si2
Molecular Weight484.78 g/mol
Exact Mass484.27
IUPAC Name1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
SMILESCC1CCCOC1C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C24H44O6Si2/c1-16-11-10-12-28-20(16)19-18(21(25)30-22(19)26)13-24(2,3)23(27)29-17(14-31(4,5)6)15-32(7,8)9/h16-20H,10-15H2,1-9H3
InChIKeyXLMAPJPTHGCBQM-UHFFFAOYSA-N
XLogP5.12
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.78
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[2-[3-(4,4-Dimethyl-2-oxooxolan-3-yl)-3-hydroperoxy-2-methylpropyl]-3-hydroperoxy-4,4-dimethylpentyl]-4-(1-trimethylsilylbutan-2-yl)oxolane-2,5-dione
CID 20580311
3-[5-[[2,5-Dioxo-4-(1-trimethylsilylbutan-2-yl)oxolan-3-yl]methyl]-2,6-dihydroperoxy-3-methyl-6-(4-methyl-2-oxooxan-4-yl)hexoxy]-3-oxopropanoic acid
CID 20580313
3-[5-(5,5-Dimethyl-2-oxooxolan-3-yl)-5-hydroperoxy-2-[hydroperoxy-(4-methyl-2-oxooxan-4-yl)methyl]-4-methylpentyl]-4-(1-trimethylsilylbutan-2-yl)oxolane-2,5-dione
CID 20580315
2,2-Dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoic acid
CID 20754306
1,3-Bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
CID 20754308
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyl-6-oxooxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754310
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754311
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754312
[3-[4-[2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822615
[3-[4-[2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]-2-methylpropyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822620
[2,2-Dimethyl-3-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822625
[2-Methyl-3-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822626

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
The IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate (CID 20754309) is 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate.
What is the SMILES notation for 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
The canonical SMILES for 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate is CC1CCCOC1C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
The InChIKey is XLMAPJPTHGCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6Si2/c1-16-11-10-12-28-20(16)19-18(21(25)30-22(19)26)13-24(2,3)23(27)29-17(14-31(4,5)6)15-32(7,8)9/h16-20H,10-15H2,1-9H3.
What are the key properties of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate has a molecular weight of 484.78 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate is sourced from PubChem (CID 20754309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).