2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate

C46H84F6O11Si2 — CID 160587395

About 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 160587395) has the molecular formula C46H84F6O11Si2 and a molecular weight of 983.33 g/mol. Its IUPAC name is 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate
• PubChem CID: 160587395
• Molecular Formula: C46H84F6O11Si2
• Molecular Weight: 983.33 g/mol
• Exact Mass: 982.55
• IUPAC Name: 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate
• SMILES: C=C1[C@H](CCOC(=O)C(C)(C)C)O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@@H]1OC.CO[C@@H]1[C@H](CO)[C@H](CCOC(=O)C(C)(C)C)O[C@@H]1CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C23H43F3O6Si.C23H41F3O5Si/c1-21(2,3)20(28)30-13-12-16-15(14-27)19(29-7)17(31-16)10-11-18(23(24,25)26)32-33(8,9)22(4,5)6;1-15-16(13-14-29-20(27)21(2,3)4)30-17(19(15)28-8)11-12-18(23(24,25)26)31-32(9,10)22(5,6)7/h15-19,27H,10-14H2,1-9H3;16-19H,1,11-14H2,2-10H3/t15-,16+,17-,18?,19-;16-,17+,18?,19+/m10/s1
• InChIKey: RCONDELYHUPCKQ-JZMZBRJPSA-N
• XLogP: 11.13
• TPSA: 128.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.33
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate?

The IUPAC name of 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate (CID 160587395) is 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate.

What is the SMILES notation for 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate?

The canonical SMILES for 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate is C=C1[C@H](CCOC(=O)C(C)(C)C)O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@@H]1OC.CO[C@@H]1[C@H](CO)[C@H](CCOC(=O)C(C)(C)C)O[C@@H]1CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F.

What is the InChIKey of 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate?

The InChIKey is RCONDELYHUPCKQ-JZMZBRJPSA-N. The full InChI is InChI=1S/C23H43F3O6Si.C23H41F3O5Si/c1-21(2,3)20(28)30-13-12-16-15(14-27)19(29-7)17(31-16)10-11-18(23(24,25)26)32-33(8,9)22(4,5)6;1-15-16(13-14-29-20(27)21(2,3)4)30-17(19(15)28-8)11-12-18(23(24,25)26)31-32(9,10)22(5,6)7/h15-19,27H,10-14H2,1-9H3;16-19H,1,11-14H2,2-10H3/t15-,16+,17-,18?,19-;16-,17+,18?,19+/m10/s1.

What are the key properties of 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate?

2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 983.33 g/mol, XLogP of 11.13, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3R,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate;2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 160587395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).