trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane

C15H21F3OSSi — CID 131743779

IUPACtrimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane
SMILESC=C(CCCSc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C
InChIInChI=1S/C15H21F3OSSi/c1-12(19-21(2,3)4)6-5-11-20-14-9-7-13(8-10-14)15(16,17)18/h7-10H,1,5-6,11H2,2-4H3
InChIKeyTVJNIUXDQGZKPW-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.94
Rot. Bonds7

About trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane

trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane (PubChem CID 131743779) has the molecular formula C15H21F3OSSi and a molecular weight of 334.48 g/mol. Its IUPAC name is trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane
PubChem CID131743779
Molecular FormulaC15H21F3OSSi
Molecular Weight334.48 g/mol
Exact Mass334.10
IUPAC Nametrimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane
SMILESC=C(CCCSc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C
InChIInChI=1S/C15H21F3OSSi/c1-12(19-21(2,3)4)6-5-11-20-14-9-7-13(8-10-14)15(16,17)18/h7-10H,1,5-6,11H2,2-4H3
InChIKeyTVJNIUXDQGZKPW-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane?
The IUPAC name of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane (CID 131743779) is trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane.
What is the SMILES notation for trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane?
The canonical SMILES for trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane is C=C(CCCSc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane?
The InChIKey is TVJNIUXDQGZKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3OSSi/c1-12(19-21(2,3)4)6-5-11-20-14-9-7-13(8-10-14)15(16,17)18/h7-10H,1,5-6,11H2,2-4H3.
What are the key properties of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane?
trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane has a molecular weight of 334.48 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-1-en-2-yloxy]silane is sourced from PubChem (CID 131743779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).