[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

C25H44O8Si2 — CID 20822625

IUPAC[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
SMILESCC(CC1C(=O)OC(=O)C1CC(C)(C)COC(=O)C1C[Si](C)(C)O[Si](C)(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H44O8Si2/c1-16(20(26)32-24(2,3)4)11-18-19(23(29)31-22(18)28)12-25(5,6)15-30-21(27)17-13-34(7,8)33-35(9,10)14-17/h16-19H,11-15H2,1-10H3
InChIKeyISXDMSHRTFWNGZ-UHFFFAOYSA-N
MW528.79 g/mol
LogP4.69
Rot. Bonds8

About [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

[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 (PubChem CID 20822625) has the molecular formula C25H44O8Si2 and a molecular weight of 528.79 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID20822625
Molecular FormulaC25H44O8Si2
Molecular Weight528.79 g/mol
Exact Mass528.26
IUPAC Name[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
SMILESCC(CC1C(=O)OC(=O)C1CC(C)(C)COC(=O)C1C[Si](C)(C)O[Si](C)(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H44O8Si2/c1-16(20(26)32-24(2,3)4)11-18-19(23(29)31-22(18)28)12-25(5,6)15-30-21(27)17-13-34(7,8)33-35(9,10)14-17/h16-19H,11-15H2,1-10H3
InChIKeyISXDMSHRTFWNGZ-UHFFFAOYSA-N
XLogP4.69
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.79
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

tert-butyl 2,2-dimethylbutanoate;3,4-dimethyloxolane-2,5-dione;2-methylbutyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 158424677
1-O-tert-butyl 5-O-(5-oxooxolan-3-yl) 4-methyl-2-[[4-(2-methyl-3-trimethylsilylpropyl)-2,5-dioxooxolan-3-yl]methyl]pentanedioate
CID 59061000
tert-butyl 3-(1,2,2,3,3,4,4-heptadeuteriocyclobutyl)-2-methylpropanoate
CID 88949902
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
2,2-dimethylbutyl 4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 134192374
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(CC1C(=O)OC(=O)C1CC(C)(C)COC(=O)C1C[Si](C)(C)O[Si](C)(C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of [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?
The InChIKey is ISXDMSHRTFWNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O8Si2/c1-16(20(26)32-24(2,3)4)11-18-19(23(29)31-22(18)28)12-25(5,6)15-30-21(27)17-13-34(7,8)33-35(9,10)14-17/h16-19H,11-15H2,1-10H3.
What are the key properties of [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?
[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 has a molecular weight of 528.79 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 20822625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).