dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate

C12H26O4Si2 — CID 10779895

IUPACdimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCOC(=O)[C@H]([C@H](C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-15-11(13)9(17(3,4)5)10(12(14)16-2)18(6,7)8/h9-10H,1-8H3/t9-,10+
InChIKeyIULMWZJCYACJQS-AOOOYVTPSA-N
MW290.51 g/mol
LogP2.75
Rot. Bonds5

About dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate

dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate (PubChem CID 10779895) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
PubChem CID10779895
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Namedimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCOC(=O)[C@H]([C@H](C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-15-11(13)9(17(3,4)5)10(12(14)16-2)18(6,7)8/h9-10H,1-8H3/t9-,10+
InChIKeyIULMWZJCYACJQS-AOOOYVTPSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,3S)-2,3-bis(trimethylsilyl)butanedioate?
The IUPAC name of dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate (CID 10779895) is dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate.
What is the SMILES notation for dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate?
The canonical SMILES for dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate is COC(=O)[C@H]([C@H](C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate?
The InChIKey is IULMWZJCYACJQS-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-15-11(13)9(17(3,4)5)10(12(14)16-2)18(6,7)8/h9-10H,1-8H3/t9-,10+.
What are the key properties of dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate?
dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate has a molecular weight of 290.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate is sourced from PubChem (CID 10779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).