(1E)-1-chlorocyclooctene

C8H13Cl — CID 12550106

IUPAC(1E)-1-chlorocyclooctene
SMILESCl/C1=C/CCCCCC1
InChIInChI=1S/C8H13Cl/c9-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKeyBQBFRZHNCRYVJP-SOFGYWHQSA-N
MW144.65 g/mol
LogP3.46
Rot. Bonds

About (1E)-1-chlorocyclooctene

(1E)-1-chlorocyclooctene (PubChem CID 12550106) has the molecular formula C8H13Cl and a molecular weight of 144.65 g/mol. Its IUPAC name is (1E)-1-chlorocyclooctene.

Molecular Properties

Compound Name(1E)-1-chlorocyclooctene
PubChem CID12550106
Molecular FormulaC8H13Cl
Molecular Weight144.65 g/mol
Exact Mass144.07
IUPAC Name(1E)-1-chlorocyclooctene
SMILESCl/C1=C/CCCCCC1
InChIInChI=1S/C8H13Cl/c9-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKeyBQBFRZHNCRYVJP-SOFGYWHQSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.65
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-chlorocyclooctene?
The IUPAC name of (1E)-1-chlorocyclooctene (CID 12550106) is (1E)-1-chlorocyclooctene.
What is the SMILES notation for (1E)-1-chlorocyclooctene?
The canonical SMILES for (1E)-1-chlorocyclooctene is Cl/C1=C/CCCCCC1.
What is the InChIKey of (1E)-1-chlorocyclooctene?
The InChIKey is BQBFRZHNCRYVJP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13Cl/c9-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+.
What are the key properties of (1E)-1-chlorocyclooctene?
(1E)-1-chlorocyclooctene has a molecular weight of 144.65 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-chlorocyclooctene is sourced from PubChem (CID 12550106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).