dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane

C12H23Cl2PPd — CID 174766996

IUPACdichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
SMILESCC=CC=CCP(C(C)C)C(C)C.Cl[Pd]Cl
InChIInChI=1S/C12H23P.2ClH.Pd/c1-6-7-8-9-10-13(11(2)3)12(4)5;;;/h6-9,11-12H,10H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyBBPZGBMHQQDIDE-UHFFFAOYSA-L
MW375.62 g/mol
LogP5.79
Rot. Bonds5

About dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane

dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane (PubChem CID 174766996) has the molecular formula C12H23Cl2PPd and a molecular weight of 375.62 g/mol. Its IUPAC name is dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Namedichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
PubChem CID174766996
Molecular FormulaC12H23Cl2PPd
Molecular Weight375.62 g/mol
Exact Mass373.99
IUPAC Namedichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
SMILESCC=CC=CCP(C(C)C)C(C)C.Cl[Pd]Cl
InChIInChI=1S/C12H23P.2ClH.Pd/c1-6-7-8-9-10-13(11(2)3)12(4)5;;;/h6-9,11-12H,10H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyBBPZGBMHQQDIDE-UHFFFAOYSA-L
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.62
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium
CID 174766953
7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
(5Z,7Z)-3-methylnona-1,5,7-triene
CID 142930221
hexa-2,4-dienyl(propan-2-yl)phosphane
CID 141408930
(4E)-hexa-2,4-diene
CID 22435466
ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium
CID 174766979
dicyclohexyl(hexa-2,4-dienyl)phosphane
CID 141408933
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147
[(2E,4Z)-hexa-2,4-dienyl] (2R)-2-chloropropanoate
CID 92527031
4-methyldodeca-1,6,8,10-tetraene
CID 123717396

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane?
The IUPAC name of dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane (CID 174766996) is dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane.
What is the SMILES notation for dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane?
The canonical SMILES for dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane is CC=CC=CCP(C(C)C)C(C)C.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane?
The InChIKey is BBPZGBMHQQDIDE-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H23P.2ClH.Pd/c1-6-7-8-9-10-13(11(2)3)12(4)5;;;/h6-9,11-12H,10H2,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane?
dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane has a molecular weight of 375.62 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 174766996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).