benzyl-dec-9-enyl-dioctylphosphanium

C33H60P+ — CID 67372457

IUPACbenzyl-dec-9-enyl-dioctylphosphanium
SMILESC=CCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)Cc1ccccc1
InChIInChI=1S/C33H60P/c1-4-7-10-13-16-17-20-26-31-34(29-24-18-14-11-8-5-2,30-25-19-15-12-9-6-3)32-33-27-22-21-23-28-33/h4,21-23,27-28H,1,5-20,24-26,29-32H2,2-3H3/q+1
InChIKeyYQXAGBYCTZTSKH-UHFFFAOYSA-N
MW487.82 g/mol
LogP11.84
Rot. Bonds25

About benzyl-dec-9-enyl-dioctylphosphanium

benzyl-dec-9-enyl-dioctylphosphanium (PubChem CID 67372457) has the molecular formula C33H60P+ and a molecular weight of 487.82 g/mol. Its IUPAC name is benzyl-dec-9-enyl-dioctylphosphanium.

Molecular Properties

Compound Namebenzyl-dec-9-enyl-dioctylphosphanium
PubChem CID67372457
Molecular FormulaC33H60P+
Molecular Weight487.82 g/mol
Exact Mass487.44
IUPAC Namebenzyl-dec-9-enyl-dioctylphosphanium
SMILESC=CCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)Cc1ccccc1
InChIInChI=1S/C33H60P/c1-4-7-10-13-16-17-20-26-31-34(29-24-18-14-11-8-5-2,30-25-19-15-12-9-6-3)32-33-27-22-21-23-28-33/h4,21-23,27-28H,1,5-20,24-26,29-32H2,2-3H3/q+1
InChIKeyYQXAGBYCTZTSKH-UHFFFAOYSA-N
XLogP11.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.82
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 69022756
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CID 69307785
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604
dibenzyl-hexyl-propylphosphanium
CID 175204053
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
N,N-dimethyl-1-phenylbut-3-en-2-amine;icos-1-ene;hydrochloride
CID 174760573
tetradec-13-en-7-ylbenzene
CID 140694824
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168
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CID 123998172

Frequently Asked Questions

What is the IUPAC name of benzyl-dec-9-enyl-dioctylphosphanium?
The IUPAC name of benzyl-dec-9-enyl-dioctylphosphanium (CID 67372457) is benzyl-dec-9-enyl-dioctylphosphanium.
What is the SMILES notation for benzyl-dec-9-enyl-dioctylphosphanium?
The canonical SMILES for benzyl-dec-9-enyl-dioctylphosphanium is C=CCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)Cc1ccccc1.
What is the InChIKey of benzyl-dec-9-enyl-dioctylphosphanium?
The InChIKey is YQXAGBYCTZTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60P/c1-4-7-10-13-16-17-20-26-31-34(29-24-18-14-11-8-5-2,30-25-19-15-12-9-6-3)32-33-27-22-21-23-28-33/h4,21-23,27-28H,1,5-20,24-26,29-32H2,2-3H3/q+1.
What are the key properties of benzyl-dec-9-enyl-dioctylphosphanium?
benzyl-dec-9-enyl-dioctylphosphanium has a molecular weight of 487.82 g/mol, XLogP of 11.84, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dec-9-enyl-dioctylphosphanium is sourced from PubChem (CID 67372457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).