ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium

C16H27O2PPd — CID 175742827

IUPACditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium
SMILESCOc1cccc(P(C(C)(C)C)C(C)(C)C)c1OC.[Pd]
InChIInChI=1S/C16H27O2P.Pd/c1-15(2,3)19(16(4,5)6)13-11-9-10-12(17-7)14(13)18-8;/h9-11H,1-8H3;
InChIKeyQKASYAMQKZRGRS-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.41
Rot. Bonds3

About ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium

ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium (PubChem CID 175742827) has the molecular formula C16H27O2PPd and a molecular weight of 388.78 g/mol. Its IUPAC name is ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium.

Molecular Properties

Compound Nameditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium
PubChem CID175742827
Molecular FormulaC16H27O2PPd
Molecular Weight388.78 g/mol
Exact Mass388.08
IUPAC Nameditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium
SMILESCOc1cccc(P(C(C)(C)C)C(C)(C)C)c1OC.[Pd]
InChIInChI=1S/C16H27O2P.Pd/c1-15(2,3)19(16(4,5)6)13-11-9-10-12(17-7)14(13)18-8;/h9-11H,1-8H3;
InChIKeyQKASYAMQKZRGRS-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium?
The IUPAC name of ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium (CID 175742827) is ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium.
What is the SMILES notation for ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium?
The canonical SMILES for ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium is COc1cccc(P(C(C)(C)C)C(C)(C)C)c1OC.[Pd].
What is the InChIKey of ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium?
The InChIKey is QKASYAMQKZRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O2P.Pd/c1-15(2,3)19(16(4,5)6)13-11-9-10-12(17-7)14(13)18-8;/h9-11H,1-8H3;.
What are the key properties of ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium?
ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium has a molecular weight of 388.78 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(2,3-dimethoxyphenyl)phosphane;palladium is sourced from PubChem (CID 175742827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).