ditert-butyl-(3-ethylphenyl)phosphane;palladium

C16H27PPd — CID 175742859

IUPACditert-butyl-(3-ethylphenyl)phosphane;palladium
SMILESCCc1cccc(P(C(C)(C)C)C(C)(C)C)c1.[Pd]
InChIInChI=1S/C16H27P.Pd/c1-8-13-10-9-11-14(12-13)17(15(2,3)4)16(5,6)7;/h9-12H,8H2,1-7H3;
InChIKeyJSUXSAIVWWLGBB-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.95
Rot. Bonds2

About ditert-butyl-(3-ethylphenyl)phosphane;palladium

ditert-butyl-(3-ethylphenyl)phosphane;palladium (PubChem CID 175742859) has the molecular formula C16H27PPd and a molecular weight of 356.79 g/mol. Its IUPAC name is ditert-butyl-(3-ethylphenyl)phosphane;palladium.

Molecular Properties

Compound Nameditert-butyl-(3-ethylphenyl)phosphane;palladium
PubChem CID175742859
Molecular FormulaC16H27PPd
Molecular Weight356.79 g/mol
Exact Mass356.09
IUPAC Nameditert-butyl-(3-ethylphenyl)phosphane;palladium
SMILESCCc1cccc(P(C(C)(C)C)C(C)(C)C)c1.[Pd]
InChIInChI=1S/C16H27P.Pd/c1-8-13-10-9-11-14(12-13)17(15(2,3)4)16(5,6)7;/h9-12H,8H2,1-7H3;
InChIKeyJSUXSAIVWWLGBB-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.95
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

3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane
CID 139928183
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
2-(3-ethylphenyl)ethyl-diphenylphosphane
CID 150107410
(3-butylphenyl)-dimethylphosphane
CID 59561058
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
(3-ethylphenyl)phosphanium chloride
CID 172678220
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
1,3-diethylbenzene;2,4,4-trimethylpent-1-ene
CID 170590525
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(3-ethylphenyl)phosphane;palladium?
The IUPAC name of ditert-butyl-(3-ethylphenyl)phosphane;palladium (CID 175742859) is ditert-butyl-(3-ethylphenyl)phosphane;palladium.
What is the SMILES notation for ditert-butyl-(3-ethylphenyl)phosphane;palladium?
The canonical SMILES for ditert-butyl-(3-ethylphenyl)phosphane;palladium is CCc1cccc(P(C(C)(C)C)C(C)(C)C)c1.[Pd].
What is the InChIKey of ditert-butyl-(3-ethylphenyl)phosphane;palladium?
The InChIKey is JSUXSAIVWWLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27P.Pd/c1-8-13-10-9-11-14(12-13)17(15(2,3)4)16(5,6)7;/h9-12H,8H2,1-7H3;.
What are the key properties of ditert-butyl-(3-ethylphenyl)phosphane;palladium?
ditert-butyl-(3-ethylphenyl)phosphane;palladium has a molecular weight of 356.79 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(3-ethylphenyl)phosphane;palladium is sourced from PubChem (CID 175742859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).