carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)

C9H14ClPd+ — CID 131700193

IUPACcarbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)
SMILESCl/C1=C/CC/C=C\CC1.[CH3-].[Pd+2]
InChIInChI=1S/C8H11Cl.CH3.Pd/c9-8-6-4-2-1-3-5-7-8;;/h1-2,7H,3-6H2;1H3;/q;-1;+2/b2-1-,8-7+;;
InChIKeyKCPSSRNPZIQNDQ-LXWICEPUSA-N
MW264.08 g/mol
LogP3.69
Rot. Bonds

About carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)

carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+) (PubChem CID 131700193) has the molecular formula C9H14ClPd+ and a molecular weight of 264.08 g/mol. Its IUPAC name is carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+).

Molecular Properties

Compound Namecarbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)
PubChem CID131700193
Molecular FormulaC9H14ClPd+
Molecular Weight264.08 g/mol
Exact Mass262.98
IUPAC Namecarbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)
SMILESCl/C1=C/CC/C=C\CC1.[CH3-].[Pd+2]
InChIInChI=1S/C8H11Cl.CH3.Pd/c9-8-6-4-2-1-3-5-7-8;;/h1-2,7H,3-6H2;1H3;/q;-1;+2/b2-1-,8-7+;;
InChIKeyKCPSSRNPZIQNDQ-LXWICEPUSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
CID 155804319
dichloropalladium;1-methylcycloocta-1,5-diene
CID 175566275
cycloocta-1,5-diene-1-carbonitrile
CID 130113542
(1E,5Z)-1-propan-2-ylcycloocta-1,5-diene
CID 20800721
(4-chlorophenyl)-[(1E,5Z)-cycloocta-1,5-dien-1-yl]methanone
CID 138453692
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
cyclododeca-1,5,9-triene;nickel
CID 72956495
(5Z)-cycloocta-1,5-diene;bis(iridium)
CID 173000003
cycloocta-1,5-diene;bis(iridium)
CID 158477680
(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine
CID 123722349
bis((5Z)-cycloocta-1,5-diene);dichlororhodium
CID 173413305
(1E,5E,9E)-1-(methylsulfonylmethyl)cyclododeca-1,5,9-triene
CID 10491187

Frequently Asked Questions

What is the IUPAC name of carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)?
The IUPAC name of carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+) (CID 131700193) is carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+).
What is the SMILES notation for carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)?
The canonical SMILES for carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+) is Cl/C1=C/CC/C=C\CC1.[CH3-].[Pd+2].
What is the InChIKey of carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)?
The InChIKey is KCPSSRNPZIQNDQ-LXWICEPUSA-N. The full InChI is InChI=1S/C8H11Cl.CH3.Pd/c9-8-6-4-2-1-3-5-7-8;;/h1-2,7H,3-6H2;1H3;/q;-1;+2/b2-1-,8-7+;;.
What are the key properties of carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)?
carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+) has a molecular weight of 264.08 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+) is sourced from PubChem (CID 131700193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).