dimethyl 2,3-bis(trimethylsilyloxy)butanedioate

C12H26O6Si2 — CID 552615

IUPACdimethyl 2,3-bis(trimethylsilyloxy)butanedioate
SMILESCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C12H26O6Si2/c1-15-11(13)9(17-19(3,4)5)10(12(14)16-2)18-20(6,7)8/h9-10H,1-8H3
InChIKeyIGAUXTHUYAWGSI-UHFFFAOYSA-N
MW322.51 g/mol
LogP1.77
Rot. Bonds7

About dimethyl 2,3-bis(trimethylsilyloxy)butanedioate

dimethyl 2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 552615) has the molecular formula C12H26O6Si2 and a molecular weight of 322.51 g/mol. Its IUPAC name is dimethyl 2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namedimethyl 2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID552615
Molecular FormulaC12H26O6Si2
Molecular Weight322.51 g/mol
Exact Mass322.13
IUPAC Namedimethyl 2,3-bis(trimethylsilyloxy)butanedioate
SMILESCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C12H26O6Si2/c1-15-11(13)9(17-19(3,4)5)10(12(14)16-2)18-20(6,7)8/h9-10H,1-8H3
InChIKeyIGAUXTHUYAWGSI-UHFFFAOYSA-N
XLogP1.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of dimethyl 2,3-bis(trimethylsilyloxy)butanedioate (CID 552615) is dimethyl 2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for dimethyl 2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for dimethyl 2,3-bis(trimethylsilyloxy)butanedioate is COC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is IGAUXTHUYAWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si2/c1-15-11(13)9(17-19(3,4)5)10(12(14)16-2)18-20(6,7)8/h9-10H,1-8H3.
What are the key properties of dimethyl 2,3-bis(trimethylsilyloxy)butanedioate?
dimethyl 2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 322.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 552615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).