dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane

C15H23Cl2PPd — CID 174766981

IUPACdichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane
SMILESCC(C)P(CC=Cc1ccccc1)C(C)C.Cl[Pd]Cl
InChIInChI=1S/C15H23P.2ClH.Pd/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15;;;/h5-11,13-14H,12H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyCVNHSNFITAGCMY-UHFFFAOYSA-L
MW411.65 g/mol
LogP6.38
Rot. Bonds5

About dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane

dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane (PubChem CID 174766981) has the molecular formula C15H23Cl2PPd and a molecular weight of 411.65 g/mol. Its IUPAC name is dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Namedichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane
PubChem CID174766981
Molecular FormulaC15H23Cl2PPd
Molecular Weight411.65 g/mol
Exact Mass409.99
IUPAC Namedichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane
SMILESCC(C)P(CC=Cc1ccccc1)C(C)C.Cl[Pd]Cl
InChIInChI=1S/C15H23P.2ClH.Pd/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15;;;/h5-11,13-14H,12H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyCVNHSNFITAGCMY-UHFFFAOYSA-L
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.65
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 66808272
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CID 91021368
(E)-5-phenylpent-4-en-2-amine
CID 55254237
benzene;but-1-enylbenzene
CID 157481332
chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
CID 173397693
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
CID 14924550
chloro-[(E)-3-phenylprop-2-enoxy]-di(propan-2-yl)silane
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CID 101487088

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane?
The IUPAC name of dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane (CID 174766981) is dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane.
What is the SMILES notation for dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane?
The canonical SMILES for dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane is CC(C)P(CC=Cc1ccccc1)C(C)C.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane?
The InChIKey is CVNHSNFITAGCMY-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H23P.2ClH.Pd/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15;;;/h5-11,13-14H,12H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane?
dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane has a molecular weight of 411.65 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 174766981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).