(1E)-1-(trichloromethyl)cyclooctene

C9H13Cl3 — CID 91751265

IUPAC(1E)-1-(trichloromethyl)cyclooctene
SMILESClC(Cl)(Cl)/C1=C/CCCCCC1
InChIInChI=1S/C9H13Cl3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKeyFCFMGYWICYEEAL-SOFGYWHQSA-N
MW227.56 g/mol
LogP4.64
Rot. Bonds

About (1E)-1-(trichloromethyl)cyclooctene

(1E)-1-(trichloromethyl)cyclooctene (PubChem CID 91751265) has the molecular formula C9H13Cl3 and a molecular weight of 227.56 g/mol. Its IUPAC name is (1E)-1-(trichloromethyl)cyclooctene.

Molecular Properties

Compound Name(1E)-1-(trichloromethyl)cyclooctene
PubChem CID91751265
Molecular FormulaC9H13Cl3
Molecular Weight227.56 g/mol
Exact Mass226.01
IUPAC Name(1E)-1-(trichloromethyl)cyclooctene
SMILESClC(Cl)(Cl)/C1=C/CCCCCC1
InChIInChI=1S/C9H13Cl3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKeyFCFMGYWICYEEAL-SOFGYWHQSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(trichloromethyl)cyclooctene?
The IUPAC name of (1E)-1-(trichloromethyl)cyclooctene (CID 91751265) is (1E)-1-(trichloromethyl)cyclooctene.
What is the SMILES notation for (1E)-1-(trichloromethyl)cyclooctene?
The canonical SMILES for (1E)-1-(trichloromethyl)cyclooctene is ClC(Cl)(Cl)/C1=C/CCCCCC1.
What is the InChIKey of (1E)-1-(trichloromethyl)cyclooctene?
The InChIKey is FCFMGYWICYEEAL-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H13Cl3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+.
What are the key properties of (1E)-1-(trichloromethyl)cyclooctene?
(1E)-1-(trichloromethyl)cyclooctene has a molecular weight of 227.56 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(trichloromethyl)cyclooctene is sourced from PubChem (CID 91751265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).