5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol

C29H33F3O3Si — CID 123838432

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol
SMILESCC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H33F3O3Si/c1-21-19-24(35-28(21,33)22-15-17-23(18-16-22)29(30,31)32)20-34-36(27(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,21,24,33H,19-20H2,1-4H3
InChIKeyZOJHLJWNZLCWAI-UHFFFAOYSA-N
MW514.66 g/mol
LogP5.85
Rot. Bonds6

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol (PubChem CID 123838432) has the molecular formula C29H33F3O3Si and a molecular weight of 514.66 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol
PubChem CID123838432
Molecular FormulaC29H33F3O3Si
Molecular Weight514.66 g/mol
Exact Mass514.22
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol
SMILESCC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H33F3O3Si/c1-21-19-24(35-28(21,33)22-15-17-23(18-16-22)29(30,31)32)20-34-36(27(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,21,24,33H,19-20H2,1-4H3
InChIKeyZOJHLJWNZLCWAI-UHFFFAOYSA-N
XLogP5.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.66
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 23631220
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 101444428
(2R)-4-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-1-ol
CID 42600017
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
CID 172751639
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol (CID 123838432) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol is CC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol?
The InChIKey is ZOJHLJWNZLCWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3O3Si/c1-21-19-24(35-28(21,33)22-15-17-23(18-16-22)29(30,31)32)20-34-36(27(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,21,24,33H,19-20H2,1-4H3.
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol?
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol has a molecular weight of 514.66 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol is sourced from PubChem (CID 123838432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).