(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)

C28H50Pd — CID 139239681

IUPAC(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)
SMILESC1=C\CC/C=C\CC/1.C=CCCCCCCC[CH2-].C=CCCCCCCC[CH2-].[Pd+2]
InChIInChI=1S/2C10H19.C8H12.Pd/c2*1-3-5-7-9-10-8-6-4-2;1-2-4-6-8-7-5-3-1;/h2*3H,1-2,4-10H2;1-2,7-8H,3-6H2;/q2*-1;;+2/b;;2-1-,8-7-;
InChIKeyJDAXHHKYCNRUNU-KEUNEWJHSA-N
MW493.13 g/mol
LogP10.14
Rot. Bonds14

About (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)

(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+) (PubChem CID 139239681) has the molecular formula C28H50Pd and a molecular weight of 493.13 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+).

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)
PubChem CID139239681
Molecular FormulaC28H50Pd
Molecular Weight493.13 g/mol
Exact Mass492.29
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)
SMILESC1=C\CC/C=C\CC/1.C=CCCCCCCC[CH2-].C=CCCCCCCC[CH2-].[Pd+2]
InChIInChI=1S/2C10H19.C8H12.Pd/c2*1-3-5-7-9-10-8-6-4-2;1-2-4-6-8-7-5-3-1;/h2*3H,1-2,4-10H2;1-2,7-8H,3-6H2;/q2*-1;;+2/b;;2-1-,8-7-;
InChIKeyJDAXHHKYCNRUNU-KEUNEWJHSA-N
XLogP10.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.13
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)
CID 139239679
zinc;ethane;undec-1-ene
CID 173301253
zinc;non-1-ene;propane
CID 173301341
lithium hex-1-ene
CID 10964413
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
zinc;hex-1-ene;bromide
CID 57375949
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
CID 139239662
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
benzoic acid;tungsten;undec-1-ene;hexahydrochloride
CID 173418738
CID 135082421
CID 135082421

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+) (CID 139239681) is (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+).
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+) is C1=C\CC/C=C\CC/1.C=CCCCCCCC[CH2-].C=CCCCCCCC[CH2-].[Pd+2].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)?
The InChIKey is JDAXHHKYCNRUNU-KEUNEWJHSA-N. The full InChI is InChI=1S/2C10H19.C8H12.Pd/c2*1-3-5-7-9-10-8-6-4-2;1-2-4-6-8-7-5-3-1;/h2*3H,1-2,4-10H2;1-2,7-8H,3-6H2;/q2*-1;;+2/b;;2-1-,8-7-;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)?
(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+) has a molecular weight of 493.13 g/mol, XLogP of 10.14, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+) is sourced from PubChem (CID 139239681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).