[3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate

C25H44O8Si2 — CID 20822627

IUPAC[3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
SMILESCC(CCOC(=O)C1C[Si](C)(C)O[Si](C)(C)C1)CC1C(=O)OC(=O)C1CC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H44O8Si2/c1-16(10-11-30-22(27)18-14-34(6,7)33-35(8,9)15-18)12-19-20(24(29)31-23(19)28)13-17(2)21(26)32-25(3,4)5/h16-20H,10-15H2,1-9H3
InChIKeyJQKKVISQOIQSEO-UHFFFAOYSA-N
MW528.79 g/mol
LogP4.69
Rot. Bonds9

About [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate

[3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate (PubChem CID 20822627) has the molecular formula C25H44O8Si2 and a molecular weight of 528.79 g/mol. Its IUPAC name is [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate.

Molecular Properties

Compound Name[3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
PubChem CID20822627
Molecular FormulaC25H44O8Si2
Molecular Weight528.79 g/mol
Exact Mass528.26
IUPAC Name[3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
SMILESCC(CCOC(=O)C1C[Si](C)(C)O[Si](C)(C)C1)CC1C(=O)OC(=O)C1CC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H44O8Si2/c1-16(10-11-30-22(27)18-14-34(6,7)33-35(8,9)15-18)12-19-20(24(29)31-23(19)28)13-17(2)21(26)32-25(3,4)5/h16-20H,10-15H2,1-9H3
InChIKeyJQKKVISQOIQSEO-UHFFFAOYSA-N
XLogP4.69
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
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'}

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Related Compounds

4-Methoxycarbonyl-2,4,6,6-tetramethyl-2-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684369
1,3-Bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
CID 20754309
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
2-[1-[4-[2-Methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822614
[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
5-O-tert-butyl 1-O-[(3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)methyl] 4-[[4-[2,2-dimethyl-3-(2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carbonyl)oxypropyl]-2,5-dioxooxolan-3-yl]methyl]-2,2,4-trimethylpentanedioate
CID 20822631
5-O-tert-butyl 1-O-[(3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)methyl] 2,2,4-trimethyl-4-[[4-[2-methyl-3-(2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carbonyl)oxypropyl]-2,5-dioxooxolan-3-yl]methyl]pentanedioate
CID 20822632
5-O-tert-butyl 1-O-methyl 4-[[2,5-dioxo-4-[2-[2-(2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carbonyl)oxyethoxy]propyl]oxolan-3-yl]methyl]-2,2-dimethylpentanedioate
CID 20822633
2-[1-Methoxy-4,4-dimethyl-1,5-dioxo-5-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-2-yl]-5-methyl-5-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-[tris(trimethylsilyloxy)silylmethyl]hexanoic acid
CID 23405275

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?
The IUPAC name of [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate (CID 20822627) is [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate.
What is the SMILES notation for [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?
The canonical SMILES for [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate is CC(CCOC(=O)C1C[Si](C)(C)O[Si](C)(C)C1)CC1C(=O)OC(=O)C1CC(C)C(=O)OC(C)(C)C.
What is the InChIKey of [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?
The InChIKey is JQKKVISQOIQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O8Si2/c1-16(10-11-30-22(27)18-14-34(6,7)33-35(8,9)15-18)12-19-20(24(29)31-23(19)28)13-17(2)21(26)32-25(3,4)5/h16-20H,10-15H2,1-9H3.
What are the key properties of [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?
[3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate has a molecular weight of 528.79 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate is sourced from PubChem (CID 20822627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).