2,6-dichloro-5-methylidenehepta-1,3,6-triene

C8H8Cl2 — CID 91115524

IUPAC2,6-dichloro-5-methylidenehepta-1,3,6-triene
SMILESC=C(Cl)C=CC(=C)C(=C)Cl
InChIInChI=1S/C8H8Cl2/c1-6(8(3)10)4-5-7(2)9/h4-5H,1-3H2
InChIKeyUDBOVYUUGPCLHQ-UHFFFAOYSA-N
MW175.06 g/mol
LogP3.60
Rot. Bonds3

About 2,6-dichloro-5-methylidenehepta-1,3,6-triene

2,6-dichloro-5-methylidenehepta-1,3,6-triene (PubChem CID 91115524) has the molecular formula C8H8Cl2 and a molecular weight of 175.06 g/mol. Its IUPAC name is 2,6-dichloro-5-methylidenehepta-1,3,6-triene.

Molecular Properties

Compound Name2,6-dichloro-5-methylidenehepta-1,3,6-triene
PubChem CID91115524
Molecular FormulaC8H8Cl2
Molecular Weight175.06 g/mol
Exact Mass174.00
IUPAC Name2,6-dichloro-5-methylidenehepta-1,3,6-triene
SMILESC=C(Cl)C=CC(=C)C(=C)Cl
InChIInChI=1S/C8H8Cl2/c1-6(8(3)10)4-5-7(2)9/h4-5H,1-3H2
InChIKeyUDBOVYUUGPCLHQ-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-methylidenehepta-1,3,6-triene?
The IUPAC name of 2,6-dichloro-5-methylidenehepta-1,3,6-triene (CID 91115524) is 2,6-dichloro-5-methylidenehepta-1,3,6-triene.
What is the SMILES notation for 2,6-dichloro-5-methylidenehepta-1,3,6-triene?
The canonical SMILES for 2,6-dichloro-5-methylidenehepta-1,3,6-triene is C=C(Cl)C=CC(=C)C(=C)Cl.
What is the InChIKey of 2,6-dichloro-5-methylidenehepta-1,3,6-triene?
The InChIKey is UDBOVYUUGPCLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2/c1-6(8(3)10)4-5-7(2)9/h4-5H,1-3H2.
What are the key properties of 2,6-dichloro-5-methylidenehepta-1,3,6-triene?
2,6-dichloro-5-methylidenehepta-1,3,6-triene has a molecular weight of 175.06 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-methylidenehepta-1,3,6-triene is sourced from PubChem (CID 91115524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).