tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate

C17H30O5Si — CID 11537459

IUPACtert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate
SMILESCC(C)(C)OC(=O)OC[C@@H]1O[C@H]1CCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-17(2,3)22-16(19)20-12-15-14(21-15)9-7-8-13(18)10-11-23(4,5)6/h13-15,18H,7-9,12H2,1-6H3/t13?,14-,15-/m0/s1
InChIKeyLYIRLWOZQUEAOF-FGRDXJNISA-N
MW342.51 g/mol
LogP3.12
Rot. Bonds6

About tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate

tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate (PubChem CID 11537459) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate
PubChem CID11537459
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Nametert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate
SMILESCC(C)(C)OC(=O)OC[C@@H]1O[C@H]1CCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-17(2,3)22-16(19)20-12-15-14(21-15)9-7-8-13(18)10-11-23(4,5)6/h13-15,18H,7-9,12H2,1-6H3/t13?,14-,15-/m0/s1
InChIKeyLYIRLWOZQUEAOF-FGRDXJNISA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [(2S,3S)-3-[2-[(2R,3R)-3-[2-[(2R)-3-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methyl carbonate
CID 134947466
tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methyl carbonate
CID 135023999
tert-butyl [(2S,3S)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methyl carbonate
CID 71623570
tert-butyl [(2S,3S)-3-(4-hydroxyhex-5-ynyl)oxiran-2-yl]methyl carbonate
CID 101339987
tert-butyl [(2S,3S)-3-(6-hydroxyoct-7-ynyl)oxiran-2-yl]methyl carbonate
CID 101339992
tert-butyl [(2R,3R)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate
CID 102182148

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate?
The IUPAC name of tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate (CID 11537459) is tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate.
What is the SMILES notation for tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate?
The canonical SMILES for tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate is CC(C)(C)OC(=O)OC[C@@H]1O[C@H]1CCCC(O)C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate?
The InChIKey is LYIRLWOZQUEAOF-FGRDXJNISA-N. The full InChI is InChI=1S/C17H30O5Si/c1-17(2,3)22-16(19)20-12-15-14(21-15)9-7-8-13(18)10-11-23(4,5)6/h13-15,18H,7-9,12H2,1-6H3/t13?,14-,15-/m0/s1.
What are the key properties of tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate?
tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate has a molecular weight of 342.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S,3S)-3-(4-hydroxy-6-trimethylsilylhex-5-ynyl)oxiran-2-yl]methyl carbonate is sourced from PubChem (CID 11537459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).