[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane

C19H25F3OSi — CID 15418783

IUPAC[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane
SMILESC=C[C@H]1CC[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C19H25F3OSi/c1-5-15-10-11-16(18(15)23-24(2,3)4)9-6-14-7-12-17(13-8-14)19(20,21)22/h5-9,12-13,15-16,18H,1,10-11H2,2-4H3/b9-6+/t15-,16+,18-/m0/s1
InChIKeyJEDRTXFNUAXVEK-AEYOSRCWSA-N
MW354.49 g/mol
LogP6.15
Rot. Bonds5

About [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane

[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane (PubChem CID 15418783) has the molecular formula C19H25F3OSi and a molecular weight of 354.49 g/mol. Its IUPAC name is [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane
PubChem CID15418783
Molecular FormulaC19H25F3OSi
Molecular Weight354.49 g/mol
Exact Mass354.16
IUPAC Name[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane
SMILESC=C[C@H]1CC[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C19H25F3OSi/c1-5-15-10-11-16(18(15)23-24(2,3)4)9-6-14-7-12-17(13-8-14)19(20,21)22/h5-9,12-13,15-16,18H,1,10-11H2,2-4H3/b9-6+/t15-,16+,18-/m0/s1
InChIKeyJEDRTXFNUAXVEK-AEYOSRCWSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane (CID 15418783) is [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane is C=C[C@H]1CC[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)[C@H]1O[Si](C)(C)C.
What is the InChIKey of [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane?
The InChIKey is JEDRTXFNUAXVEK-AEYOSRCWSA-N. The full InChI is InChI=1S/C19H25F3OSi/c1-5-15-10-11-16(18(15)23-24(2,3)4)9-6-14-7-12-17(13-8-14)19(20,21)22/h5-9,12-13,15-16,18H,1,10-11H2,2-4H3/b9-6+/t15-,16+,18-/m0/s1.
What are the key properties of [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane?
[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane has a molecular weight of 354.49 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 15418783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).