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

C20H38O5Si — CID 101070905

IUPAC2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESC=CC[C@H]1O[C@@H](CCOC(=O)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C20H38O5Si/c1-10-11-14-16(21)17(25-26(8,9)20(5,6)7)15(24-14)12-13-23-18(22)19(2,3)4/h10,14-17,21H,1,11-13H2,2-9H3/t14-,15+,16-,17-/m1/s1
InChIKeyUOWBKXDOTKDZQB-YYIAUSFCSA-N
MW386.61 g/mol
LogP4.06
Rot. Bonds7

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

2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 101070905) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate
PubChem CID101070905
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESC=CC[C@H]1O[C@@H](CCOC(=O)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C20H38O5Si/c1-10-11-14-16(21)17(25-26(8,9)20(5,6)7)15(24-14)12-13-23-18(22)19(2,3)4/h10,14-17,21H,1,11-13H2,2-9H3/t14-,15+,16-,17-/m1/s1
InChIKeyUOWBKXDOTKDZQB-YYIAUSFCSA-N
XLogP4.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.06
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 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate (CID 101070905) is 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate is C=CC[C@H]1O[C@@H](CCOC(=O)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is UOWBKXDOTKDZQB-YYIAUSFCSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-10-11-14-16(21)17(25-26(8,9)20(5,6)7)15(24-14)12-13-23-18(22)19(2,3)4/h10,14-17,21H,1,11-13H2,2-9H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate?
2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 386.61 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-prop-2-enyloxolan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101070905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).