(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol

C19H36O5Si — CID 11268781

IUPAC(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
SMILESC=C[C@H]1O[C@H]([C@@]2(OC)OCC[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C19H36O5Si/c1-9-15-14(20)12-16(23-15)19(21-6)17(13(2)10-11-22-19)24-25(7,8)18(3,4)5/h9,13-17,20H,1,10-12H2,2-8H3/t13-,14-,15-,16+,17-,19-/m1/s1
InChIKeyFKZTWFPBUWCJOT-FEFVAOQBSA-N
MW372.58 g/mol
LogP3.48
Rot. Bonds5

About (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol

(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol (PubChem CID 11268781) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
PubChem CID11268781
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
SMILESC=C[C@H]1O[C@H]([C@@]2(OC)OCC[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C19H36O5Si/c1-9-15-14(20)12-16(23-15)19(21-6)17(13(2)10-11-22-19)24-25(7,8)18(3,4)5/h9,13-17,20H,1,10-12H2,2-8H3/t13-,14-,15-,16+,17-,19-/m1/s1
InChIKeyFKZTWFPBUWCJOT-FEFVAOQBSA-N
XLogP3.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.48
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'}

Analyze (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol (CID 11268781) is (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol is C=C[C@H]1O[C@H]([C@@]2(OC)OCC[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1O.
What is the InChIKey of (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol?
The InChIKey is FKZTWFPBUWCJOT-FEFVAOQBSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-9-15-14(20)12-16(23-15)19(21-6)17(13(2)10-11-22-19)24-25(7,8)18(3,4)5/h9,13-17,20H,1,10-12H2,2-8H3/t13-,14-,15-,16+,17-,19-/m1/s1.
What are the key properties of (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol?
(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol has a molecular weight of 372.58 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol is sourced from PubChem (CID 11268781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).