carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium

C22H41PPd — CID 174436432

IUPACcarbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[CH3-].[Pd]
InChIInChI=1S/C21H38P.CH3.Pd/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;/h2,19-21H,1,3-18H2;1H3;/q+1;-1;
InChIKeyZMSDEFPZUBXTST-UHFFFAOYSA-N
MW442.96 g/mol
LogP7.64
Rot. Bonds5

About carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium

carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium (PubChem CID 174436432) has the molecular formula C22H41PPd and a molecular weight of 442.96 g/mol. Its IUPAC name is carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium.

Molecular Properties

Compound Namecarbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium
PubChem CID174436432
Molecular FormulaC22H41PPd
Molecular Weight442.96 g/mol
Exact Mass442.20
IUPAC Namecarbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[CH3-].[Pd]
InChIInChI=1S/C21H38P.CH3.Pd/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;/h2,19-21H,1,3-18H2;1H3;/q+1;-1;
InChIKeyZMSDEFPZUBXTST-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.96
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclooctylbut-3-en-1-amine
CID 80604015
1-cyclohexylpent-4-en-2-ol
CID 13166988
tricyclohexyl(2-hydroxyethyl)phosphanium bromide
CID 89438818
ethenylcyclotetradecane
CID 123915888
ethenylcyclononane
CID 123465789
2-cyclohexylpent-4-en-1-ol
CID 77257118
tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477
[(3S)-hex-5-en-1-yn-3-yl]cyclohexane
CID 102433430
[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
CID 100966370
cyclooctylcyclooctane;prop-2-en-1-ol
CID 174488377
(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
CID 10922765
1-cyclohexylbut-3-enyl acetate
CID 11481011

Frequently Asked Questions

What is the IUPAC name of carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium?
The IUPAC name of carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium (CID 174436432) is carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium.
What is the SMILES notation for carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium?
The canonical SMILES for carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium is C=CC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[CH3-].[Pd].
What is the InChIKey of carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium?
The InChIKey is ZMSDEFPZUBXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38P.CH3.Pd/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;/h2,19-21H,1,3-18H2;1H3;/q+1;-1;.
What are the key properties of carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium?
carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium has a molecular weight of 442.96 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;palladium;tricyclohexyl(prop-2-enyl)phosphanium is sourced from PubChem (CID 174436432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).