5,6,9,10-tetrachlorododeca-1,2-diene

C12H18Cl4 — CID 57051190

IUPAC5,6,9,10-tetrachlorododeca-1,2-diene
SMILESC=C=CCC(Cl)C(Cl)CCC(Cl)C(Cl)CC
InChIInChI=1S/C12H18Cl4/c1-3-5-6-10(14)12(16)8-7-11(15)9(13)4-2/h5,9-12H,1,4,6-8H2,2H3
InChIKeyWIKQXNVTKFNQMS-UHFFFAOYSA-N
MW304.09 g/mol
LogP5.34
Rot. Bonds8

About 5,6,9,10-tetrachlorododeca-1,2-diene

5,6,9,10-tetrachlorododeca-1,2-diene (PubChem CID 57051190) has the molecular formula C12H18Cl4 and a molecular weight of 304.09 g/mol. Its IUPAC name is 5,6,9,10-tetrachlorododeca-1,2-diene.

Molecular Properties

Compound Name5,6,9,10-tetrachlorododeca-1,2-diene
PubChem CID57051190
Molecular FormulaC12H18Cl4
Molecular Weight304.09 g/mol
Exact Mass302.02
IUPAC Name5,6,9,10-tetrachlorododeca-1,2-diene
SMILESC=C=CCC(Cl)C(Cl)CCC(Cl)C(Cl)CC
InChIInChI=1S/C12H18Cl4/c1-3-5-6-10(14)12(16)8-7-11(15)9(13)4-2/h5,9-12H,1,4,6-8H2,2H3
InChIKeyWIKQXNVTKFNQMS-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.09
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,9,10-tetrachlorododeca-1,2-diene?
The IUPAC name of 5,6,9,10-tetrachlorododeca-1,2-diene (CID 57051190) is 5,6,9,10-tetrachlorododeca-1,2-diene.
What is the SMILES notation for 5,6,9,10-tetrachlorododeca-1,2-diene?
The canonical SMILES for 5,6,9,10-tetrachlorododeca-1,2-diene is C=C=CCC(Cl)C(Cl)CCC(Cl)C(Cl)CC.
What is the InChIKey of 5,6,9,10-tetrachlorododeca-1,2-diene?
The InChIKey is WIKQXNVTKFNQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl4/c1-3-5-6-10(14)12(16)8-7-11(15)9(13)4-2/h5,9-12H,1,4,6-8H2,2H3.
What are the key properties of 5,6,9,10-tetrachlorododeca-1,2-diene?
5,6,9,10-tetrachlorododeca-1,2-diene has a molecular weight of 304.09 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9,10-tetrachlorododeca-1,2-diene is sourced from PubChem (CID 57051190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).