(3E)-2,5-dichlorohexa-1,3-diene

C6H8Cl2 — CID 102247590

IUPAC(3E)-2,5-dichlorohexa-1,3-diene
SMILESC=C(Cl)/C=C/C(C)Cl
InChIInChI=1S/C6H8Cl2/c1-5(7)3-4-6(2)8/h3-4,6H,1H2,2H3/b4-3+
InChIKeyNUFRVSZXROFAKT-ONEGZZNKSA-N
MW151.04 g/mol
LogP2.92
Rot. Bonds2

About (3E)-2,5-dichlorohexa-1,3-diene

(3E)-2,5-dichlorohexa-1,3-diene (PubChem CID 102247590) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is (3E)-2,5-dichlorohexa-1,3-diene.

Molecular Properties

Compound Name(3E)-2,5-dichlorohexa-1,3-diene
PubChem CID102247590
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name(3E)-2,5-dichlorohexa-1,3-diene
SMILESC=C(Cl)/C=C/C(C)Cl
InChIInChI=1S/C6H8Cl2/c1-5(7)3-4-6(2)8/h3-4,6H,1H2,2H3/b4-3+
InChIKeyNUFRVSZXROFAKT-ONEGZZNKSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.92
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 (3E)-2,5-dichlorohexa-1,3-diene?
The IUPAC name of (3E)-2,5-dichlorohexa-1,3-diene (CID 102247590) is (3E)-2,5-dichlorohexa-1,3-diene.
What is the SMILES notation for (3E)-2,5-dichlorohexa-1,3-diene?
The canonical SMILES for (3E)-2,5-dichlorohexa-1,3-diene is C=C(Cl)/C=C/C(C)Cl.
What is the InChIKey of (3E)-2,5-dichlorohexa-1,3-diene?
The InChIKey is NUFRVSZXROFAKT-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H8Cl2/c1-5(7)3-4-6(2)8/h3-4,6H,1H2,2H3/b4-3+.
What are the key properties of (3E)-2,5-dichlorohexa-1,3-diene?
(3E)-2,5-dichlorohexa-1,3-diene has a molecular weight of 151.04 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,5-dichlorohexa-1,3-diene is sourced from PubChem (CID 102247590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).