(2E,4E)-1-chlorohexa-2,4-diene

C6H9Cl — CID 642180

IUPAC(2E,4E)-1-chlorohexa-2,4-diene
SMILESC/C=C/C=C/CCl
InChIInChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-5H,6H2,1H3/b3-2+,5-4+
InChIKeyOGAKEJHVQRBQLA-MQQKCMAXSA-N
MW116.59 g/mol
LogP2.36
Rot. Bonds2

About (2E,4E)-1-chlorohexa-2,4-diene

(2E,4E)-1-chlorohexa-2,4-diene (PubChem CID 642180) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is (2E,4E)-1-chlorohexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-chlorohexa-2,4-diene
PubChem CID642180
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name(2E,4E)-1-chlorohexa-2,4-diene
SMILESC/C=C/C=C/CCl
InChIInChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-5H,6H2,1H3/b3-2+,5-4+
InChIKeyOGAKEJHVQRBQLA-MQQKCMAXSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-chlorohexa-2,4-diene?
The IUPAC name of (2E,4E)-1-chlorohexa-2,4-diene (CID 642180) is (2E,4E)-1-chlorohexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-chlorohexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-chlorohexa-2,4-diene is C/C=C/C=C/CCl.
What is the InChIKey of (2E,4E)-1-chlorohexa-2,4-diene?
The InChIKey is OGAKEJHVQRBQLA-MQQKCMAXSA-N. The full InChI is InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-5H,6H2,1H3/b3-2+,5-4+.
What are the key properties of (2E,4E)-1-chlorohexa-2,4-diene?
(2E,4E)-1-chlorohexa-2,4-diene has a molecular weight of 116.59 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-chlorohexa-2,4-diene is sourced from PubChem (CID 642180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).