ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate

C22H46O6Si2 — CID 139989296

IUPACditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCC(O[Si](C)(C)C)(C(=O)OC(C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H46O6Si2/c1-15-21(27-29(9,10)11,17(23)25-19(3,4)5)22(16-2,28-30(12,13)14)18(24)26-20(6,7)8/h15-16H2,1-14H3
InChIKeyKUXKEBDMEJVJJA-UHFFFAOYSA-N
MW462.78 g/mol
LogP5.67
Rot. Bonds9

About ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate

ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 139989296) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Nameditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID139989296
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Nameditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCC(O[Si](C)(C)C)(C(=O)OC(C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H46O6Si2/c1-15-21(27-29(9,10)11,17(23)25-19(3,4)5)22(16-2,28-30(12,13)14)18(24)26-20(6,7)8/h15-16H2,1-14H3
InChIKeyKUXKEBDMEJVJJA-UHFFFAOYSA-N
XLogP5.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
2-Isopropylmalic acid, O-trimethylsilyl-, bis(trimethylsilyl) ester
CID 91696892
Methylcitric acid, tetraTBDMS (1)
CID 6430569
Isopropylmalic acid, O-(tert-butyldimethylsilyl)-, bis(tert-butyldimethylsilyl) ester
CID 91696672
Bis(trimethylsilyl) 2,3-dihydroxy-2,3-di(propan-2-yl)butanedioate
CID 87375893
Diethyl 2-[3-[diethoxy(ethyl)silyl]propoxy]-2-propylbutanedioate
CID 124027086
Diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
Bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989273
Diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989317
Dipropyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989335
Dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989341

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 139989296) is ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is CCC(O[Si](C)(C)C)(C(=O)OC(C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is KUXKEBDMEJVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O6Si2/c1-15-21(27-29(9,10)11,17(23)25-19(3,4)5)22(16-2,28-30(12,13)14)18(24)26-20(6,7)8/h15-16H2,1-14H3.
What are the key properties of ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 462.78 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 139989296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).