tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane

C25H39F3O5Si — CID 59916206

IUPACtert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@H](OC)C1OCc1ccc(OC)cc1
InChIInChI=1S/C25H39F3O5Si/c1-9-19-23(31-16-17-10-12-18(29-5)13-11-17)22(30-6)20(32-19)14-15-21(25(26,27)28)33-34(7,8)24(2,3)4/h9-13,19-23H,1,14-16H2,2-8H3/t19-,20+,21?,22-,23?/m0/s1
InChIKeyGNMYXLFHMKDVHT-HSZFRPHQSA-N
MW504.66 g/mol
LogP6.28
Rot. Bonds11

About tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane

tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane (PubChem CID 59916206) has the molecular formula C25H39F3O5Si and a molecular weight of 504.66 g/mol. Its IUPAC name is tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane
PubChem CID59916206
Molecular FormulaC25H39F3O5Si
Molecular Weight504.66 g/mol
Exact Mass504.25
IUPAC Nametert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@H](OC)C1OCc1ccc(OC)cc1
InChIInChI=1S/C25H39F3O5Si/c1-9-19-23(31-16-17-10-12-18(29-5)13-11-17)22(30-6)20(32-19)14-15-21(25(26,27)28)33-34(7,8)24(2,3)4/h9-13,19-23H,1,14-16H2,2-8H3/t19-,20+,21?,22-,23?/m0/s1
InChIKeyGNMYXLFHMKDVHT-HSZFRPHQSA-N
XLogP6.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

alpha-(Difluoromethylene)-4-methoxybenzyloxytrimethylsilane
CID 11436832
1-(Trimethylsilyloxy)-1-(4-methoxyphenyl)-2,2,2-trifluoroethane
CID 85812397
Triethyl(4-methoxybenzyloxy)silane
CID 578646
4-Methoxybenzyl alcohol, tert-butyldimethylsilyl ether
CID 11075968
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl trifluoromethanesulfonate
CID 10952961
tert-butyl-[(3S,4S,5R)-2-fluoro-5-[(4-methoxyphenyl)methoxy]-3-phenylselanyloxan-4-yl]oxy-dimethylsilane
CID 11071453
[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-5-yl] trifluoromethanesulfonate
CID 11227032
[2,2-Difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol
CID 15469786
3,3-difluoro-2-(4-methoxyphenyl)-2H-furan
CID 23656178
Trimethyl-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]oxysilane
CID 85902453
tributyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-3-yl]stannane
CID 134847935
tributyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]stannane
CID 134847936

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane (CID 59916206) is tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane is C=C[C@@H]1O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@H](OC)C1OCc1ccc(OC)cc1.
What is the InChIKey of tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane?
The InChIKey is GNMYXLFHMKDVHT-HSZFRPHQSA-N. The full InChI is InChI=1S/C25H39F3O5Si/c1-9-19-23(31-16-17-10-12-18(29-5)13-11-17)22(30-6)20(32-19)14-15-21(25(26,27)28)33-34(7,8)24(2,3)4/h9-13,19-23H,1,14-16H2,2-8H3/t19-,20+,21?,22-,23?/m0/s1.
What are the key properties of tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane?
tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane has a molecular weight of 504.66 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(2R,3S,5S)-5-ethenyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 59916206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).