[3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane

C17H23F3O2Si — CID 134889268

IUPAC[3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3O2Si/c1-21-15-12-14(22-23(2,3)4)10-11-16(15,17(18,19)20)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3
InChIKeyLCRPXQSFRDHDEV-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.03
Rot. Bonds4

About [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane

[3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134889268) has the molecular formula C17H23F3O2Si and a molecular weight of 344.45 g/mol. Its IUPAC name is [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134889268
Molecular FormulaC17H23F3O2Si
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name[3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3O2Si/c1-21-15-12-14(22-23(2,3)4)10-11-16(15,17(18,19)20)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3
InChIKeyLCRPXQSFRDHDEV-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
CID 57706367
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
CID 67430249
Trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane
CID 164897213
[1-(4-Tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
CID 166519432
[1-(4-Tert-butylphenyl)-2-(trifluoromethoxy)ethenoxy]-tri(propan-2-yl)silane
CID 176244061
(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-1-phenylcyclohex-4-ene-1,2-dicarbonitrile
CID 101444834
Trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane
CID 11566193
trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane
CID 44551514
[2,4-Dimethoxy-6-(trifluoromethyl)cyclohex-3-en-1-yl]benzene
CID 101928378
6-Methoxy-2,5-dimethyl-5-[4-(trifluoromethyl)phenyl]cyclohexa-1,3-diene
CID 147368987
CID 67857937
CID 67857937
(5-Methoxy-1,5-diphenylpentoxy)-trimethylsilane
CID 70660414

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane (CID 134889268) is [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane is COC1C=C(O[Si](C)(C)C)CCC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is LCRPXQSFRDHDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O2Si/c1-21-15-12-14(22-23(2,3)4)10-11-16(15,17(18,19)20)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3.
What are the key properties of [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane?
[3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 344.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134889268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).