diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate

C14H30O4Si2 — CID 10829399

IUPACdiethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCCOC(=O)[C@@H]([C@H](C(=O)OCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-9-17-13(15)11(19(3,4)5)12(20(6,7)8)14(16)18-10-2/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyOTUNNRWESSPIBH-VXGBXAGGSA-N
MW318.56 g/mol
LogP3.53
Rot. Bonds7

About diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate

diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate (PubChem CID 10829399) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate.

Molecular Properties

Compound Namediethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
PubChem CID10829399
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Namediethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCCOC(=O)[C@@H]([C@H](C(=O)OCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-9-17-13(15)11(19(3,4)5)12(20(6,7)8)14(16)18-10-2/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyOTUNNRWESSPIBH-VXGBXAGGSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(diethoxymethylsilyl)butyrate
CID 85265
Diethyl 2,3-bis(trimethylsilyl)butanedioate
CID 21943931
Ethyl(trimethylsilyl) succinate
CID 552373
dihexyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10550612
dipropan-2-yl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10665293
dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10779895
Ethyl 2-(trimethylsilyl)butanoate
CID 15914891
3-Acetoxybutyric acid, trimethylsilyl ester
CID 588576
Ethyl trimethylsilylethylacetate
CID 86594849
diethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10543616
dimethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10637286
dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10807574

Frequently Asked Questions

What is the IUPAC name of diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The IUPAC name of diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate (CID 10829399) is diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate.
What is the SMILES notation for diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The canonical SMILES for diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate is CCOC(=O)[C@@H]([C@H](C(=O)OCC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The InChIKey is OTUNNRWESSPIBH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-9-17-13(15)11(19(3,4)5)12(20(6,7)8)14(16)18-10-2/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate has a molecular weight of 318.56 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate is sourced from PubChem (CID 10829399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).