tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane

C33H49F3O2Si2 — CID 177494411

IUPACtert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
SMILESCC(C)[Si](OC1(c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)=CC1c1ccc(C(F)(F)F)cc1)(C(C)C)C(C)C
InChIInChI=1S/C33H49F3O2Si2/c1-23(2)40(24(3)4,25(5)6)38-32(27-15-13-12-14-16-27)22-29(37-39(10,11)31(7,8)9)21-30(32)26-17-19-28(20-18-26)33(34,35)36/h12-21,23-25,30H,22H2,1-11H3
InChIKeyNBVBDQZOPQPSJM-UHFFFAOYSA-N
MW590.92 g/mol
LogP11.19
Rot. Bonds9

About tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane

tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane (PubChem CID 177494411) has the molecular formula C33H49F3O2Si2 and a molecular weight of 590.92 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
PubChem CID177494411
Molecular FormulaC33H49F3O2Si2
Molecular Weight590.92 g/mol
Exact Mass590.32
IUPAC Nametert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
SMILESCC(C)[Si](OC1(c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)=CC1c1ccc(C(F)(F)F)cc1)(C(C)C)C(C)C
InChIInChI=1S/C33H49F3O2Si2/c1-23(2)40(24(3)4,25(5)6)38-32(27-15-13-12-14-16-27)22-29(37-39(10,11)31(7,8)9)21-30(32)26-17-19-28(20-18-26)33(34,35)36/h12-21,23-25,30H,22H2,1-11H3
InChIKeyNBVBDQZOPQPSJM-UHFFFAOYSA-N
XLogP11.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.92
LogP ≤ 511.19
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-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
CID 177471883
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CID 11392094
tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
CID 122389927
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
CID 134924163
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862
2,2-bis[3,5-bis(trifluoromethyl)phenyl]-4,4-ditert-butyl-5,5-diphenyl-1-oxa-4-phosphonia-2-boranuidacyclopentane
CID 164678164
tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 10839181
4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane (CID 177494411) is tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane is CC(C)[Si](OC1(c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)=CC1c1ccc(C(F)(F)F)cc1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
The InChIKey is NBVBDQZOPQPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49F3O2Si2/c1-23(2)40(24(3)4,25(5)6)38-32(27-15-13-12-14-16-27)22-29(37-39(10,11)31(7,8)9)21-30(32)26-17-19-28(20-18-26)33(34,35)36/h12-21,23-25,30H,22H2,1-11H3.
What are the key properties of tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane has a molecular weight of 590.92 g/mol, XLogP of 11.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane is sourced from PubChem (CID 177494411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).