methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate

C19H28BrF3O4Si — CID 23726098

IUPACmethyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate
SMILESCOC(=O)C[C@@](CC(C)(C)c1cc(Br)ccc1OC)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C19H28BrF3O4Si/c1-17(2,14-10-13(20)8-9-15(14)25-3)12-18(19(21,22)23,11-16(24)26-4)27-28(5,6)7/h8-10H,11-12H2,1-7H3/t18-/m0/s1
InChIKeyIPWDUYQZIPGHOB-SFHVURJKSA-N
MW485.41 g/mol
LogP5.84
Rot. Bonds8

About methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate

methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate (PubChem CID 23726098) has the molecular formula C19H28BrF3O4Si and a molecular weight of 485.41 g/mol. Its IUPAC name is methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Namemethyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate
PubChem CID23726098
Molecular FormulaC19H28BrF3O4Si
Molecular Weight485.41 g/mol
Exact Mass484.09
IUPAC Namemethyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate
SMILESCOC(=O)C[C@@](CC(C)(C)c1cc(Br)ccc1OC)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C19H28BrF3O4Si/c1-17(2,14-10-13(20)8-9-15(14)25-3)12-18(19(21,22)23,11-16(24)26-4)27-28(5,6)7/h8-10H,11-12H2,1-7H3/t18-/m0/s1
InChIKeyIPWDUYQZIPGHOB-SFHVURJKSA-N
XLogP5.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate 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

methyl (3R)-5-(5-fluoro-2-methylphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate
CID 58509553
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
methyl 2-(5-bromo-2-methoxyphenyl)-2,3,3,3-tetrafluoropropanoate
CID 73427434
5-(5-bromo-2-methoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
CID 62933839
chloro(trimethyl)silane;methyl (3S)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate;methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate;4-methylpyridin-3-amine;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-ol
CID 159763393
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
CID 115153147
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate?
The IUPAC name of methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate (CID 23726098) is methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate.
What is the SMILES notation for methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate?
The canonical SMILES for methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate is COC(=O)C[C@@](CC(C)(C)c1cc(Br)ccc1OC)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate?
The InChIKey is IPWDUYQZIPGHOB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28BrF3O4Si/c1-17(2,14-10-13(20)8-9-15(14)25-3)12-18(19(21,22)23,11-16(24)26-4)27-28(5,6)7/h8-10H,11-12H2,1-7H3/t18-/m0/s1.
What are the key properties of methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate?
methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate has a molecular weight of 485.41 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-(5-bromo-2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-3-trimethylsilyloxyhexanoate is sourced from PubChem (CID 23726098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).