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

C20H34Pd — CID 139239679

IUPAC(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)
SMILESC1=C\CC/C=C\CC/1.C=CCCC[CH2-].C=CCCC[CH2-].[Pd+2]
InChIInChI=1S/C8H12.2C6H11.Pd/c1-2-4-6-8-7-5-3-1;2*1-3-5-6-4-2;/h1-2,7-8H,3-6H2;2*3H,1-2,4-6H2;/q;2*-1;+2/b2-1-,8-7-;;;
InChIKeyWXHCHGXGIQLVOE-PHFPKPIQSA-N
MW380.91 g/mol
LogP7.02
Rot. Bonds6

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

(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+) (PubChem CID 139239679) has the molecular formula C20H34Pd and a molecular weight of 380.91 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+).

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)
PubChem CID139239679
Molecular FormulaC20H34Pd
Molecular Weight380.91 g/mol
Exact Mass380.17
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)
SMILESC1=C\CC/C=C\CC/1.C=CCCC[CH2-].C=CCCC[CH2-].[Pd+2]
InChIInChI=1S/C8H12.2C6H11.Pd/c1-2-4-6-8-7-5-3-1;2*1-3-5-6-4-2;/h1-2,7-8H,3-6H2;2*3H,1-2,4-6H2;/q;2*-1;+2/b2-1-,8-7-;;;
InChIKeyWXHCHGXGIQLVOE-PHFPKPIQSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.91
LogP ≤ 57.02
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(dec-1-ene);palladium(2+)
CID 139239681
lithium hex-1-ene
CID 10964413
zinc;hex-1-ene;bromide
CID 57375949
zinc;ethane;undec-1-ene
CID 173301253
zinc;non-1-ene;propane
CID 173301341
copper(1+);pent-1-ene
CID 11029887
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
CID 139239662
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
CID 139239614
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
4-hex-5-enylcyclopentene
CID 154064369

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+) (CID 139239679) is (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+).
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+) is C1=C\CC/C=C\CC/1.C=CCCC[CH2-].C=CCCC[CH2-].[Pd+2].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)?
The InChIKey is WXHCHGXGIQLVOE-PHFPKPIQSA-N. The full InChI is InChI=1S/C8H12.2C6H11.Pd/c1-2-4-6-8-7-5-3-1;2*1-3-5-6-4-2;/h1-2,7-8H,3-6H2;2*3H,1-2,4-6H2;/q;2*-1;+2/b2-1-,8-7-;;;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)?
(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+) has a molecular weight of 380.91 g/mol, XLogP of 7.02, 6 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(hex-1-ene);palladium(2+) is sourced from PubChem (CID 139239679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).