10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene

C15H23F3S — CID 91016548

IUPAC10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene
SMILESCCSCCC(C)CC(=C=C=C(C)CC)C(F)(F)F
InChIInChI=1S/C15H23F3S/c1-5-12(3)7-8-14(15(16,17)18)11-13(4)9-10-19-6-2/h13H,5-6,9-11H2,1-4H3/b14-12-
InChIKeyJGDGRYWYVPXIKS-OWBHPGMISA-N
MW292.41 g/mol
LogP5.75
Rot. Bonds7

About 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene

10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene (PubChem CID 91016548) has the molecular formula C15H23F3S and a molecular weight of 292.41 g/mol. Its IUPAC name is 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene.

Molecular Properties

Compound Name10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene
PubChem CID91016548
Molecular FormulaC15H23F3S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene
SMILESCCSCCC(C)CC(=C=C=C(C)CC)C(F)(F)F
InChIInChI=1S/C15H23F3S/c1-5-12(3)7-8-14(15(16,17)18)11-13(4)9-10-19-6-2/h13H,5-6,9-11H2,1-4H3/b14-12-
InChIKeyJGDGRYWYVPXIKS-OWBHPGMISA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene?
The IUPAC name of 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene (CID 91016548) is 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene.
What is the SMILES notation for 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene?
The canonical SMILES for 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene is CCSCCC(C)CC(=C=C=C(C)CC)C(F)(F)F.
What is the InChIKey of 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene?
The InChIKey is JGDGRYWYVPXIKS-OWBHPGMISA-N. The full InChI is InChI=1S/C15H23F3S/c1-5-12(3)7-8-14(15(16,17)18)11-13(4)9-10-19-6-2/h13H,5-6,9-11H2,1-4H3/b14-12-.
What are the key properties of 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene?
10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene has a molecular weight of 292.41 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene is sourced from PubChem (CID 91016548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).