4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate

C15H32O4Si2 — CID 10640362

IUPAC4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate
SMILESCOC(=O)[C@@H]([C@@H](C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-15(2,3)19-14(17)12(21(8,9)10)11(13(16)18-4)20(5,6)7/h11-12H,1-10H3/t11-,12+/m1/s1
InChIKeyRNYQVFANEAUEDP-NEPJUHHUSA-N
MW332.59 g/mol
LogP3.92
Rot. Bonds5

About 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate

4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate (PubChem CID 10640362) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate.

Molecular Properties

Compound Name4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate
PubChem CID10640362
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Name4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate
SMILESCOC(=O)[C@@H]([C@@H](C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-15(2,3)19-14(17)12(21(8,9)10)11(13(16)18-4)20(5,6)7/h11-12H,1-10H3/t11-,12+/m1/s1
InChIKeyRNYQVFANEAUEDP-NEPJUHHUSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 53.92
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

ditert-butyl methyl methanetricarboxylate
CID 45278404
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl (2R)-2-chloro-2-trimethylsilylacetate
CID 124630222
3-O,3-O-ditert-butyl 1-O,1-O-dimethyl propane-1,1,3,3-tetracarboxylate
CID 141234633
2-amino-3-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175598067
methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
CID 101221457
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
4-O-tert-butyl 1-O-methyl (3S)-2-hydroxy-3-methylbutanedioate;(3S)-2-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158944220
1-O,1-O-ditert-butyl 2-O-methyl ethane-1,1,2-tricarboxylate
CID 13042474
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate?
The IUPAC name of 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate (CID 10640362) is 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate.
What is the SMILES notation for 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate?
The canonical SMILES for 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate is COC(=O)[C@@H]([C@@H](C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate?
The InChIKey is RNYQVFANEAUEDP-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-15(2,3)19-14(17)12(21(8,9)10)11(13(16)18-4)20(5,6)7/h11-12H,1-10H3/t11-,12+/m1/s1.
What are the key properties of 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate?
4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate has a molecular weight of 332.59 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate is sourced from PubChem (CID 10640362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).