(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol

C12H20O3Si — CID 91471807

IUPAC(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol
SMILESC[C@@H]1O[C@H](C=CC#C[Si](C)(C)C)[C@H](O)C1O
InChIInChI=1S/C12H20O3Si/c1-9-11(13)12(14)10(15-9)7-5-6-8-16(2,3)4/h5,7,9-14H,1-4H3/t9-,10+,11?,12-/m0/s1
InChIKeyOIYCTKGBXLGQFS-MBYGNEARSA-N
MW240.37 g/mol
LogP0.93
Rot. Bonds1

About (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol

(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol (PubChem CID 91471807) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol
PubChem CID91471807
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol
SMILESC[C@@H]1O[C@H](C=CC#C[Si](C)(C)C)[C@H](O)C1O
InChIInChI=1S/C12H20O3Si/c1-9-11(13)12(14)10(15-9)7-5-6-8-16(2,3)4/h5,7,9-14H,1-4H3/t9-,10+,11?,12-/m0/s1
InChIKeyOIYCTKGBXLGQFS-MBYGNEARSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol with MolForge

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Related Compounds

Trienylfuranol A
CID 132571658
CID 57693430
CID 57693430
(2R,3R,5S)-2-[(E)-4-fluorobut-1-en-3-ynyl]-5-methyloxolane-3,4-diol
CID 88976648
(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol
CID 91574330
(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol
CID 135042819
CID 57693333
CID 57693333
CID 57693501
CID 57693501
CID 69884661
CID 69884661
[(4S,5R)-2,2-dimethyl-5-[(1Z,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol
CID 87267185
[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol
CID 87267186
(2R,3R,5S)-2-[(E)-but-1-en-3-ynyl]-5-methyloxolane-3,4-diol
CID 88976647
(2S,4R,5R)-2-methyl-5-[(E)-4-trimethylsilylbut-1-en-3-ynyl]oxolane-3,4-diol
CID 88976649

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol?
The IUPAC name of (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol (CID 91471807) is (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol?
The canonical SMILES for (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol is C[C@@H]1O[C@H](C=CC#C[Si](C)(C)C)[C@H](O)C1O.
What is the InChIKey of (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol?
The InChIKey is OIYCTKGBXLGQFS-MBYGNEARSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-9-11(13)12(14)10(15-9)7-5-6-8-16(2,3)4/h5,7,9-14H,1-4H3/t9-,10+,11?,12-/m0/s1.
What are the key properties of (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol?
(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol has a molecular weight of 240.37 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol is sourced from PubChem (CID 91471807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).