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

C18H36O4Si2 — CID 101391352

IUPAC(2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol
SMILESC[C@@]1([Si](C)(C)C)O[C@@H]1C[C@@]1([Si](C)(C)C)O[C@@H]1C[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C18H36O4Si2/c1-17(23(2,3)4)16(21-17)12-18(24(5,6)7)15(22-18)11-14-13(19)9-8-10-20-14/h13-16,19H,8-12H2,1-7H3/t13-,14+,15-,16-,17+,18+/m1/s1
InChIKeyYHYCKHDJJVYIOF-SUMCQTLJSA-N
MW372.65 g/mol
LogP3.36
Rot. Bonds6

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

(2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol (PubChem CID 101391352) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol
PubChem CID101391352
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Name(2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol
SMILESC[C@@]1([Si](C)(C)C)O[C@@H]1C[C@@]1([Si](C)(C)C)O[C@@H]1C[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C18H36O4Si2/c1-17(23(2,3)4)16(21-17)12-18(24(5,6)7)15(22-18)11-14-13(19)9-8-10-20-14/h13-16,19H,8-12H2,1-7H3/t13-,14+,15-,16-,17+,18+/m1/s1
InChIKeyYHYCKHDJJVYIOF-SUMCQTLJSA-N
XLogP3.36
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
The IUPAC name of (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol (CID 101391352) is (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
The canonical SMILES for (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol is C[C@@]1([Si](C)(C)C)O[C@@H]1C[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,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
The InChIKey is YHYCKHDJJVYIOF-SUMCQTLJSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-17(23(2,3)4)16(21-17)12-18(24(5,6)7)15(22-18)11-14-13(19)9-8-10-20-14/h13-16,19H,8-12H2,1-7H3/t13-,14+,15-,16-,17+,18+/m1/s1.
What are the key properties of (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol?
(2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol has a molecular weight of 372.65 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2R,3S)-3-[[(2R,3S)-3-methyl-3-trimethylsilyloxiran-2-yl]methyl]-3-trimethylsilyloxiran-2-yl]methyl]oxan-3-ol is sourced from PubChem (CID 101391352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).