2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate

C15H31O2PPd — CID 22335976

IUPAC2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate
SMILESC=C([CH2-])C.CC(=O)[O-].CC(C)P(C(C)C)C(C)C.[Pd+2]
InChIInChI=1S/C9H21P.C4H7.C2H4O2.Pd/c1-7(2)10(8(3)4)9(5)6;1-4(2)3;1-2(3)4;/h7-9H,1-6H3;1-2H2,3H3;1H3,(H,3,4);/q;-1;;+2/p-1
InChIKeyGTLAKEHCFJWIAE-UHFFFAOYSA-M
MW380.81 g/mol
LogP3.84
Rot. Bonds3

About 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate

2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate (PubChem CID 22335976) has the molecular formula C15H31O2PPd and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate.

Molecular Properties

Compound Name2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate
PubChem CID22335976
Molecular FormulaC15H31O2PPd
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate
SMILESC=C([CH2-])C.CC(=O)[O-].CC(C)P(C(C)C)C(C)C.[Pd+2]
InChIInChI=1S/C9H21P.C4H7.C2H4O2.Pd/c1-7(2)10(8(3)4)9(5)6;1-4(2)3;1-2(3)4;/h7-9H,1-6H3;1-2H2,3H3;1H3,(H,3,4);/q;-1;;+2/p-1
InChIKeyGTLAKEHCFJWIAE-UHFFFAOYSA-M
XLogP3.84
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

palladium(2+);bis(tri(propan-2-yl)phosphane);dibromide
CID 175774543
propan-2-ylazanium acetate
CID 22623609
diazanium;propan-2-olate;acetate
CID 141066617
dichloromethane;palladium(2+);diacetate
CID 175069770
acetate;manganese;nickel(2+);acetate
CID 175075722
cobalt(2+);tris(2-methylpropyl)alumane;diacetate
CID 173149166
cobalt(3+);3-oxobutanoate;bis(propan-2-olate)
CID 173419525
2-hydroxypropylazanium acetate
CID 22134549
zinc;palladium(2+);acetate;chloride
CID 23134840
phosphanylphosphanium acetate
CID 162334335
pentasodium;ethene;pentaacetate
CID 172708449
sodium;propane-1,2-diol;acetate
CID 88844727

Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate?
The IUPAC name of 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate (CID 22335976) is 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate.
What is the SMILES notation for 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate?
The canonical SMILES for 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate is C=C([CH2-])C.CC(=O)[O-].CC(C)P(C(C)C)C(C)C.[Pd+2].
What is the InChIKey of 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate?
The InChIKey is GTLAKEHCFJWIAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21P.C4H7.C2H4O2.Pd/c1-7(2)10(8(3)4)9(5)6;1-4(2)3;1-2(3)4;/h7-9H,1-6H3;1-2H2,3H3;1H3,(H,3,4);/q;-1;;+2/p-1.
What are the key properties of 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate?
2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate has a molecular weight of 380.81 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate is sourced from PubChem (CID 22335976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).