(2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol

C12H24O3Si — CID 135084436

IUPAC(2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol
SMILESC[C@]1([Si](C)(C)C)O[C@@H]1C[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C12H24O3Si/c1-12(16(2,3)4)11(15-12)8-10-9(13)6-5-7-14-10/h9-11,13H,5-8H2,1-4H3/t9-,10+,11-,12-/m1/s1
InChIKeyRNHFRGGLAGYRHD-WRWGMCAJSA-N
MW244.41 g/mol
LogP1.95
Rot. Bonds3

About (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol

(2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol (PubChem CID 135084436) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol
PubChem CID135084436
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol
SMILESC[C@]1([Si](C)(C)C)O[C@@H]1C[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C12H24O3Si/c1-12(16(2,3)4)11(15-12)8-10-9(13)6-5-7-14-10/h9-11,13H,5-8H2,1-4H3/t9-,10+,11-,12-/m1/s1
InChIKeyRNHFRGGLAGYRHD-WRWGMCAJSA-N
XLogP1.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
The IUPAC name of (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol (CID 135084436) is (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
The canonical SMILES for (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol is C[C@]1([Si](C)(C)C)O[C@@H]1C[C@@H]1OCCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
The InChIKey is RNHFRGGLAGYRHD-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(16(2,3)4)11(15-12)8-10-9(13)6-5-7-14-10/h9-11,13H,5-8H2,1-4H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
(2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol has a molecular weight of 244.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2R,3R)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol is sourced from PubChem (CID 135084436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).