2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene

C10H17F3S — CID 162565819

IUPAC2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
SMILESC=C(C)CC(C(C)CSC)C(F)(F)F
InChIInChI=1S/C10H17F3S/c1-7(2)5-9(10(11,12)13)8(3)6-14-4/h8-9H,1,5-6H2,2-4H3
InChIKeyGLHVDYGPDBOVLY-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.13
Rot. Bonds5

About 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene

2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene (PubChem CID 162565819) has the molecular formula C10H17F3S and a molecular weight of 226.31 g/mol. Its IUPAC name is 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
PubChem CID162565819
Molecular FormulaC10H17F3S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
SMILESC=C(C)CC(C(C)CSC)C(F)(F)F
InChIInChI=1S/C10H17F3S/c1-7(2)5-9(10(11,12)13)8(3)6-14-4/h8-9H,1,5-6H2,2-4H3
InChIKeyGLHVDYGPDBOVLY-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methylidene-1-methylsulfanyl-2-(trifluoromethyl)cyclohexane
CID 90922567
10-Ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene
CID 91016548
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
2-Ethyl-4-(trifluoromethyl)pent-4-ene-1-thiol
CID 123994432
1-Methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
CID 146817721
2,6-Dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene
CID 174812579
(4Z)-2-methyl-4-(3,3,3-trifluoropropylsulfanylmethylidene)heptane
CID 162576874
5-Methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene
CID 129131607
2,3,5,5-Tetramethyl-4-methylidene-1-methylsulfanylhexane
CID 134232897
3-Ethyl-2-(2-methylprop-1-enylsulfanyl)hept-1-ene
CID 138511379
1,1,2,2,3,4-hexamethyl-3H-thiophene
CID 138665143
3-Ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane
CID 155026943

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
The IUPAC name of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene (CID 162565819) is 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene is C=C(C)CC(C(C)CSC)C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
The InChIKey is GLHVDYGPDBOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3S/c1-7(2)5-9(10(11,12)13)8(3)6-14-4/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene has a molecular weight of 226.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 162565819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).