(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene

C10H17F3O2S — CID 102062294

IUPAC(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene
SMILESCCCCCC/C(C)=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O2S/c1-3-4-5-6-7-9(2)8-16(14,15)10(11,12)13/h8H,3-7H2,1-2H3/b9-8+
InChIKeyPIKRJCUHEZIUQI-CMDGGOBGSA-N
MW258.30 g/mol
LogP3.80
Rot. Bonds6

About (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene

(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene (PubChem CID 102062294) has the molecular formula C10H17F3O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene
PubChem CID102062294
Molecular FormulaC10H17F3O2S
Molecular Weight258.30 g/mol
Exact Mass258.09
IUPAC Name(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene
SMILESCCCCCC/C(C)=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O2S/c1-3-4-5-6-7-9(2)8-16(14,15)10(11,12)13/h8H,3-7H2,1-2H3/b9-8+
InChIKeyPIKRJCUHEZIUQI-CMDGGOBGSA-N
XLogP3.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 15261380
(3E)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 101990457
tributyl-[(E,3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-enyl]stannane
CID 177604230
6,6-Difluoro-5-methyl-5-hexenylmethanesulfonate
CID 86595303
(8,8-Difluoro-2-methylidenenonylidene)-dimethyl-oxo-lambda6-sulfane;ethane
CID 170598691
1-(Trifluoromethylsulfonyl)octadec-1-ene
CID 173286098
(E)-2-methyl-1-methylsulfonylhept-1-ene
CID 12636170
3,4-Dipropylthiophene-1,1-dioxide
CID 129832305
(Z)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene
CID 15271926
(E)-1-(trifluoromethylsulfonyl)undec-1-ene
CID 15504451
(8,8-Difluoro-2-methylidenenonylidene)-dimethyl-oxo-lambda6-sulfane
CID 170598692
1-Methylidene-5-(methylsulfonylmethylidene)cyclooctane
CID 67555820

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene?
The IUPAC name of (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene (CID 102062294) is (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene.
What is the SMILES notation for (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene?
The canonical SMILES for (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene is CCCCCC/C(C)=C/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene?
The InChIKey is PIKRJCUHEZIUQI-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17F3O2S/c1-3-4-5-6-7-9(2)8-16(14,15)10(11,12)13/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene?
(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene has a molecular weight of 258.30 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene is sourced from PubChem (CID 102062294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).