dichloropalladium;1-methylcycloocta-1,5-diene

C9H14Cl2Pd — CID 175566275

IUPACdichloropalladium;1-methylcycloocta-1,5-diene
SMILESCC1=CCCC=CCC1.Cl[Pd]Cl
InChIInChI=1S/C9H14.2ClH.Pd/c1-9-7-5-3-2-4-6-8-9;;;/h2-3,8H,4-7H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyFRGOKKIRQADNKC-UHFFFAOYSA-L
MW299.54 g/mol
LogP4.44
Rot. Bonds

About dichloropalladium;1-methylcycloocta-1,5-diene

dichloropalladium;1-methylcycloocta-1,5-diene (PubChem CID 175566275) has the molecular formula C9H14Cl2Pd and a molecular weight of 299.54 g/mol. Its IUPAC name is dichloropalladium;1-methylcycloocta-1,5-diene.

Molecular Properties

Compound Namedichloropalladium;1-methylcycloocta-1,5-diene
PubChem CID175566275
Molecular FormulaC9H14Cl2Pd
Molecular Weight299.54 g/mol
Exact Mass297.95
IUPAC Namedichloropalladium;1-methylcycloocta-1,5-diene
SMILESCC1=CCCC=CCC1.Cl[Pd]Cl
InChIInChI=1S/C9H14.2ClH.Pd/c1-9-7-5-3-2-4-6-8-9;;;/h2-3,8H,4-7H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyFRGOKKIRQADNKC-UHFFFAOYSA-L
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
CID 155804319
2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
CID 21159121
methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
carbanide;(1E,5Z)-1-chlorocycloocta-1,5-diene;palladium(2+)
CID 131700193
(1E,5Z)-1-propan-2-ylcycloocta-1,5-diene
CID 20800721

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;1-methylcycloocta-1,5-diene?
The IUPAC name of dichloropalladium;1-methylcycloocta-1,5-diene (CID 175566275) is dichloropalladium;1-methylcycloocta-1,5-diene.
What is the SMILES notation for dichloropalladium;1-methylcycloocta-1,5-diene?
The canonical SMILES for dichloropalladium;1-methylcycloocta-1,5-diene is CC1=CCCC=CCC1.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;1-methylcycloocta-1,5-diene?
The InChIKey is FRGOKKIRQADNKC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14.2ClH.Pd/c1-9-7-5-3-2-4-6-8-9;;;/h2-3,8H,4-7H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;1-methylcycloocta-1,5-diene?
dichloropalladium;1-methylcycloocta-1,5-diene has a molecular weight of 299.54 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;1-methylcycloocta-1,5-diene is sourced from PubChem (CID 175566275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).