[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate

C19H36O5Si — CID 101070904

IUPAC[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESC=CC[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C19H36O5Si/c1-10-11-13-15(20)16(24-25(8,9)19(5,6)7)14(23-13)12-22-17(21)18(2,3)4/h10,13-16,20H,1,11-12H2,2-9H3/t13-,14+,15-,16-/m0/s1
InChIKeyWYWVBYYEHUEMBW-FZKCQIBNSA-N
MW372.58 g/mol
LogP3.67
Rot. Bonds6

About [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 101070904) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID101070904
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESC=CC[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C19H36O5Si/c1-10-11-13-15(20)16(24-25(8,9)19(5,6)7)14(23-13)12-22-17(21)18(2,3)4/h10,13-16,20H,1,11-12H2,2-9H3/t13-,14+,15-,16-/m0/s1
InChIKeyWYWVBYYEHUEMBW-FZKCQIBNSA-N
XLogP3.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 101070904) is [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate is C=CC[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is WYWVBYYEHUEMBW-FZKCQIBNSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-10-11-13-15(20)16(24-25(8,9)19(5,6)7)14(23-13)12-22-17(21)18(2,3)4/h10,13-16,20H,1,11-12H2,2-9H3/t13-,14+,15-,16-/m0/s1.
What are the key properties of [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 372.58 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101070904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).