9-chlorodeca-1,2,3,4,5,6,7,9-octaene

C10H5Cl — CID 157483205

IUPAC9-chlorodeca-1,2,3,4,5,6,7,9-octaene
SMILESC=C=C=C=C=C=C=CC(=C)Cl
InChIInChI=1S/C10H5Cl/c1-3-4-5-6-7-8-9-10(2)11/h9H,1-2H2
InChIKeyPYTSNGBNILNFKM-UHFFFAOYSA-N
MW160.60 g/mol
LogP2.86
Rot. Bonds1

About 9-chlorodeca-1,2,3,4,5,6,7,9-octaene

9-chlorodeca-1,2,3,4,5,6,7,9-octaene (PubChem CID 157483205) has the molecular formula C10H5Cl and a molecular weight of 160.60 g/mol. Its IUPAC name is 9-chlorodeca-1,2,3,4,5,6,7,9-octaene.

Molecular Properties

Compound Name9-chlorodeca-1,2,3,4,5,6,7,9-octaene
PubChem CID157483205
Molecular FormulaC10H5Cl
Molecular Weight160.60 g/mol
Exact Mass160.01
IUPAC Name9-chlorodeca-1,2,3,4,5,6,7,9-octaene
SMILESC=C=C=C=C=C=C=CC(=C)Cl
InChIInChI=1S/C10H5Cl/c1-3-4-5-6-7-8-9-10(2)11/h9H,1-2H2
InChIKeyPYTSNGBNILNFKM-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 52.86
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 9-chlorodeca-1,2,3,4,5,6,7,9-octaene?
The IUPAC name of 9-chlorodeca-1,2,3,4,5,6,7,9-octaene (CID 157483205) is 9-chlorodeca-1,2,3,4,5,6,7,9-octaene.
What is the SMILES notation for 9-chlorodeca-1,2,3,4,5,6,7,9-octaene?
The canonical SMILES for 9-chlorodeca-1,2,3,4,5,6,7,9-octaene is C=C=C=C=C=C=C=CC(=C)Cl.
What is the InChIKey of 9-chlorodeca-1,2,3,4,5,6,7,9-octaene?
The InChIKey is PYTSNGBNILNFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl/c1-3-4-5-6-7-8-9-10(2)11/h9H,1-2H2.
What are the key properties of 9-chlorodeca-1,2,3,4,5,6,7,9-octaene?
9-chlorodeca-1,2,3,4,5,6,7,9-octaene has a molecular weight of 160.60 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorodeca-1,2,3,4,5,6,7,9-octaene is sourced from PubChem (CID 157483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).