dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate

C12H20O5Si — CID 10869435

IUPACdimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate
SMILESCOC(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H](O)C(=O)OC
InChIInChI=1S/C12H20O5Si/c1-16-11(14)9(10(13)12(15)17-2)7-6-8-18(3,4)5/h9-10,13H,7H2,1-5H3/t9-,10+/m0/s1
InChIKeyONNOWNUASUGXEU-VHSXEESVSA-N
MW272.37 g/mol
LogP0.58
Rot. Bonds4

About dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate

dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate (PubChem CID 10869435) has the molecular formula C12H20O5Si and a molecular weight of 272.37 g/mol. Its IUPAC name is dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate
PubChem CID10869435
Molecular FormulaC12H20O5Si
Molecular Weight272.37 g/mol
Exact Mass272.11
IUPAC Namedimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate
SMILESCOC(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H](O)C(=O)OC
InChIInChI=1S/C12H20O5Si/c1-16-11(14)9(10(13)12(15)17-2)7-6-8-18(3,4)5/h9-10,13H,7H2,1-5H3/t9-,10+/m0/s1
InChIKeyONNOWNUASUGXEU-VHSXEESVSA-N
XLogP0.58
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate?
The IUPAC name of dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate (CID 10869435) is dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate.
What is the SMILES notation for dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate?
The canonical SMILES for dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate is COC(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H](O)C(=O)OC.
What is the InChIKey of dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate?
The InChIKey is ONNOWNUASUGXEU-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20O5Si/c1-16-11(14)9(10(13)12(15)17-2)7-6-8-18(3,4)5/h9-10,13H,7H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate?
dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate has a molecular weight of 272.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate is sourced from PubChem (CID 10869435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).