(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol

C10H20O2Si — CID 11827016

IUPAC(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
SMILESC[C@@H](O)[C@@](C)(C#C[Si](C)(C)C)CO
InChIInChI=1S/C10H20O2Si/c1-9(12)10(2,8-11)6-7-13(3,4)5/h9,11-12H,8H2,1-5H3/t9-,10+/m1/s1
InChIKeyVESCRFANEJCLEU-ZJUUUORDSA-N
MW200.35 g/mol
LogP1.25
Rot. Bonds2

About (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol

(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol (PubChem CID 11827016) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
PubChem CID11827016
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
SMILESC[C@@H](O)[C@@](C)(C#C[Si](C)(C)C)CO
InChIInChI=1S/C10H20O2Si/c1-9(12)10(2,8-11)6-7-13(3,4)5/h9,11-12H,8H2,1-5H3/t9-,10+/m1/s1
InChIKeyVESCRFANEJCLEU-ZJUUUORDSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;cobalt;(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827015
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
CID 129405345
(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 11401366
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
trimethyl-(2-methyl-4-trimethylsilylbut-3-yn-2-yl)silane
CID 552884
(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635877
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
2-methyl-2-propan-2-ylbutane-1,3-diol
CID 12660971
copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane
CID 139105386

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol?
The IUPAC name of (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol (CID 11827016) is (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol?
The canonical SMILES for (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol is C[C@@H](O)[C@@](C)(C#C[Si](C)(C)C)CO.
What is the InChIKey of (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol?
The InChIKey is VESCRFANEJCLEU-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(12)10(2,8-11)6-7-13(3,4)5/h9,11-12H,8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol?
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol has a molecular weight of 200.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol is sourced from PubChem (CID 11827016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).