[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol

C16H32O5Si — CID 11438987

IUPAC[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol
SMILESC[C@]1(COCOCC[Si](C)(C)C)O[C@@H]1CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C16H32O5Si/c1-15(10-17)13(20-15)6-7-14-16(2,21-14)11-19-12-18-8-9-22(3,4)5/h13-14,17H,6-12H2,1-5H3/t13-,14+,15-,16+/m0/s1
InChIKeyXNJBKCFFIIXQNU-XUWVNRHRSA-N
MW332.51 g/mol
LogP2.40
Rot. Bonds11

About [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol

[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol (PubChem CID 11438987) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol
PubChem CID11438987
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol
SMILESC[C@]1(COCOCC[Si](C)(C)C)O[C@@H]1CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C16H32O5Si/c1-15(10-17)13(20-15)6-7-14-16(2,21-14)11-19-12-18-8-9-22(3,4)5/h13-14,17H,6-12H2,1-5H3/t13-,14+,15-,16+/m0/s1
InChIKeyXNJBKCFFIIXQNU-XUWVNRHRSA-N
XLogP2.40
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol (CID 11438987) is [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol is C[C@]1(COCOCC[Si](C)(C)C)O[C@@H]1CC[C@@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol?
The InChIKey is XNJBKCFFIIXQNU-XUWVNRHRSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(10-17)13(20-15)6-7-14-16(2,21-14)11-19-12-18-8-9-22(3,4)5/h13-14,17H,6-12H2,1-5H3/t13-,14+,15-,16+/m0/s1.
What are the key properties of [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol?
[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol has a molecular weight of 332.51 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol is sourced from PubChem (CID 11438987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).