trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane

C15H21F3OSSi — CID 131743781

IUPACtrimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane
SMILESCC=C(CCSc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C
InChIInChI=1S/C15H21F3OSSi/c1-5-13(19-21(2,3)4)10-11-20-14-8-6-12(7-9-14)15(16,17)18/h5-9H,10-11H2,1-4H3
InChIKeyPROGGAXAGDARCN-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.94
Rot. Bonds6

About trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane

trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane (PubChem CID 131743781) has the molecular formula C15H21F3OSSi and a molecular weight of 334.48 g/mol. Its IUPAC name is trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane
PubChem CID131743781
Molecular FormulaC15H21F3OSSi
Molecular Weight334.48 g/mol
Exact Mass334.10
IUPAC Nametrimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane
SMILESCC=C(CCSc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C
InChIInChI=1S/C15H21F3OSSi/c1-5-13(19-21(2,3)4)10-11-20-14-8-6-12(7-9-14)15(16,17)18/h5-9H,10-11H2,1-4H3
InChIKeyPROGGAXAGDARCN-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethylsulfanyl)-4-(trifluoromethyl)benzene
CID 154202846
1-heptylsulfanyl-4-(trifluoromethyl)benzene
CID 167002826
(2E,4E)-5-methyl-2-[(Z)-3-methylpent-2-en-2-yl]-7-[4-(trifluoromethyl)phenyl]sulfanylhepta-2,4-diene-1,3-diol
CID 144605305
11-[4-(trifluoromethyl)phenyl]sulfanylundecanoic acid
CID 68913121
1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251
4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide
CID 167778502
tert-butyl 3-pyridin-4-ylsulfanylpropanoate
CID 116662596
5-(4-tert-butylphenyl)sulfanylpentan-2-one
CID 43425963
1-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)benzene
CID 79403226
2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-3-hydroxy-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohex-2-en-1-one
CID 89283437
N'-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]ethane-1,2-diamine;dihydrochloride
CID 69275084
1-tert-butyl-4-propylsulfanylbenzene
CID 86200196

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane?
The IUPAC name of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane (CID 131743781) is trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane.
What is the SMILES notation for trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane?
The canonical SMILES for trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane is CC=C(CCSc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane?
The InChIKey is PROGGAXAGDARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3OSSi/c1-5-13(19-21(2,3)4)10-11-20-14-8-6-12(7-9-14)15(16,17)18/h5-9H,10-11H2,1-4H3.
What are the key properties of trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane?
trimethyl-[5-[4-(trifluoromethyl)phenyl]sulfanylpent-2-en-3-yloxy]silane has a molecular weight of 334.48 g/mol, XLogP of 5.94, 6 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-2-en-3-yloxy]silane is sourced from PubChem (CID 131743781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).