ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium

C15H31Cl2PPd — CID 174766979

IUPACditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium
SMILESCC(C)CC=CCP(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C15H31P.2ClH.Pd/c1-13(2)11-9-10-12-16(14(3,4)5)15(6,7)8;;;/h9-10,13H,11-12H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyQLLOXFMSBBAAFS-UHFFFAOYSA-L
MW419.71 g/mol
LogP7.04
Rot. Bonds4

About ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium

ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium (PubChem CID 174766979) has the molecular formula C15H31Cl2PPd and a molecular weight of 419.71 g/mol. Its IUPAC name is ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium.

Molecular Properties

Compound Nameditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium
PubChem CID174766979
Molecular FormulaC15H31Cl2PPd
Molecular Weight419.71 g/mol
Exact Mass418.06
IUPAC Nameditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium
SMILESCC(C)CC=CCP(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C15H31P.2ClH.Pd/c1-13(2)11-9-10-12-16(14(3,4)5)15(6,7)8;;;/h9-10,13H,11-12H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyQLLOXFMSBBAAFS-UHFFFAOYSA-L
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium
CID 174766953
5-methylhex-2-en-1-ol
CID 12538351
dicyclohexyl(5-methylhex-2-enyl)phosphane
CID 141408948
dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
CID 174766996
(E)-2,8,8,10-tetramethylundec-4-ene
CID 59408864
5-methylhex-2-en-1-amine;hydrochloride
CID 173399515
2,8-dimethylnon-4-ene
CID 54058844
1-bromo-6-methylhept-3-ene
CID 79006953
(Z)-1,1,1-trifluoro-5-methylhex-2-ene
CID 176664146
10-methylundeca-3,7-diene
CID 91333064
6-methylhept-3-enal
CID 91484741
ethane;(E)-5-methylhex-2-ene
CID 143114143

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium?
The IUPAC name of ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium (CID 174766979) is ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium.
What is the SMILES notation for ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium?
The canonical SMILES for ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium is CC(C)CC=CCP(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl.
What is the InChIKey of ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium?
The InChIKey is QLLOXFMSBBAAFS-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H31P.2ClH.Pd/c1-13(2)11-9-10-12-16(14(3,4)5)15(6,7)8;;;/h9-10,13H,11-12H2,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium?
ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium has a molecular weight of 419.71 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(5-methylhex-2-enyl)phosphane;dichloropalladium is sourced from PubChem (CID 174766979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).