(E)-6-chloronon-4-ene

C9H17Cl — CID 87673420

IUPAC(E)-6-chloronon-4-ene
SMILESCCC/C=C/C(Cl)CCC
InChIInChI=1S/C9H17Cl/c1-3-5-6-8-9(10)7-4-2/h6,8-9H,3-5,7H2,1-2H3/b8-6+
InChIKeyULIUKQDFGSZIRQ-SOFGYWHQSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds5

About (E)-6-chloronon-4-ene

(E)-6-chloronon-4-ene (PubChem CID 87673420) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is (E)-6-chloronon-4-ene.

Molecular Properties

Compound Name(E)-6-chloronon-4-ene
PubChem CID87673420
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name(E)-6-chloronon-4-ene
SMILESCCC/C=C/C(Cl)CCC
InChIInChI=1S/C9H17Cl/c1-3-5-6-8-9(10)7-4-2/h6,8-9H,3-5,7H2,1-2H3/b8-6+
InChIKeyULIUKQDFGSZIRQ-SOFGYWHQSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.75
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 (E)-6-chloronon-4-ene?
The IUPAC name of (E)-6-chloronon-4-ene (CID 87673420) is (E)-6-chloronon-4-ene.
What is the SMILES notation for (E)-6-chloronon-4-ene?
The canonical SMILES for (E)-6-chloronon-4-ene is CCC/C=C/C(Cl)CCC.
What is the InChIKey of (E)-6-chloronon-4-ene?
The InChIKey is ULIUKQDFGSZIRQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-5-6-8-9(10)7-4-2/h6,8-9H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (E)-6-chloronon-4-ene?
(E)-6-chloronon-4-ene has a molecular weight of 160.69 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloronon-4-ene is sourced from PubChem (CID 87673420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).