ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium

C14H27Cl2PPd — CID 174766953

IUPACditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium
SMILESCC=CC=CCP(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C14H27P.2ClH.Pd/c1-8-9-10-11-12-15(13(2,3)4)14(5,6)7;;;/h8-11H,12H2,1-7H3;2*1H;/q;;;+2/p-2
InChIKeyKVKZEPGUCYUALO-UHFFFAOYSA-L
MW403.67 g/mol
LogP6.57
Rot. Bonds3

About ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium

ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium (PubChem CID 174766953) has the molecular formula C14H27Cl2PPd and a molecular weight of 403.67 g/mol. Its IUPAC name is ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium.

Molecular Properties

Compound Nameditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium
PubChem CID174766953
Molecular FormulaC14H27Cl2PPd
Molecular Weight403.67 g/mol
Exact Mass402.03
IUPAC Nameditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium
SMILESCC=CC=CCP(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C14H27P.2ClH.Pd/c1-8-9-10-11-12-15(13(2,3)4)14(5,6)7;;;/h8-11H,12H2,1-7H3;2*1H;/q;;;+2/p-2
InChIKeyKVKZEPGUCYUALO-UHFFFAOYSA-L
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.67
LogP ≤ 56.57
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'}

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Related Compounds

ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium
CID 174766979
dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
CID 174766996
(4E)-hexa-2,4-diene
CID 22435466
dicyclohexyl(hexa-2,4-dienyl)phosphane
CID 141408933
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
(2E,4E)-10,10-dimethylundeca-2,4-diene
CID 166042308
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
11-chloroundeca-2,4-diene
CID 168861619
3-ethyl-3-methylnona-1,5,7-triene
CID 123256755
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium?
The IUPAC name of ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium (CID 174766953) is ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium.
What is the SMILES notation for ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium?
The canonical SMILES for ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium is CC=CC=CCP(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl.
What is the InChIKey of ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium?
The InChIKey is KVKZEPGUCYUALO-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H27P.2ClH.Pd/c1-8-9-10-11-12-15(13(2,3)4)14(5,6)7;;;/h8-11H,12H2,1-7H3;2*1H;/q;;;+2/p-2.
What are the key properties of ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium?
ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium has a molecular weight of 403.67 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium is sourced from PubChem (CID 174766953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).