1,1-dichloroocta-1,3-diene;palladium

C8H12Cl2Pd — CID 87090262

IUPAC1,1-dichloroocta-1,3-diene;palladium
SMILESCCCCC=CC=C(Cl)Cl.[Pd]
InChIInChI=1S/C8H12Cl2.Pd/c1-2-3-4-5-6-7-8(9)10;/h5-7H,2-4H2,1H3;
InChIKeyJMNRCEBOUJQMHN-UHFFFAOYSA-N
MW285.51 g/mol
LogP4.05
Rot. Bonds4

About 1,1-dichloroocta-1,3-diene;palladium

1,1-dichloroocta-1,3-diene;palladium (PubChem CID 87090262) has the molecular formula C8H12Cl2Pd and a molecular weight of 285.51 g/mol. Its IUPAC name is 1,1-dichloroocta-1,3-diene;palladium.

Molecular Properties

Compound Name1,1-dichloroocta-1,3-diene;palladium
PubChem CID87090262
Molecular FormulaC8H12Cl2Pd
Molecular Weight285.51 g/mol
Exact Mass283.94
IUPAC Name1,1-dichloroocta-1,3-diene;palladium
SMILESCCCCC=CC=C(Cl)Cl.[Pd]
InChIInChI=1S/C8H12Cl2.Pd/c1-2-3-4-5-6-7-8(9)10;/h5-7H,2-4H2,1H3;
InChIKeyJMNRCEBOUJQMHN-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroocta-1,3-diene
CID 150749668
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212
(1E)-octa-1,3-dien-1-ol
CID 154003406
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
2,2-difluoro-3-methyldeca-3,5-diene
CID 123813972
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroocta-1,3-diene;palladium?
The IUPAC name of 1,1-dichloroocta-1,3-diene;palladium (CID 87090262) is 1,1-dichloroocta-1,3-diene;palladium.
What is the SMILES notation for 1,1-dichloroocta-1,3-diene;palladium?
The canonical SMILES for 1,1-dichloroocta-1,3-diene;palladium is CCCCC=CC=C(Cl)Cl.[Pd].
What is the InChIKey of 1,1-dichloroocta-1,3-diene;palladium?
The InChIKey is JMNRCEBOUJQMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2.Pd/c1-2-3-4-5-6-7-8(9)10;/h5-7H,2-4H2,1H3;.
What are the key properties of 1,1-dichloroocta-1,3-diene;palladium?
1,1-dichloroocta-1,3-diene;palladium has a molecular weight of 285.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroocta-1,3-diene;palladium is sourced from PubChem (CID 87090262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).