tributyl-[(E)-octadec-9-enyl]phosphanium

C30H62P+ — CID 18185844

IUPACtributyl-[(E)-octadec-9-enyl]phosphanium
SMILESCCCCCCCC/C=C/CCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C30H62P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27-10-6-2,28-11-7-3)29-12-8-4/h18-19H,5-17,20-30H2,1-4H3/q+1/b19-18+
InChIKeyVBOZUMIHXLXGNU-VHEBQXMUSA-N
MW453.80 g/mol
LogP11.44
Rot. Bonds25

About tributyl-[(E)-octadec-9-enyl]phosphanium

tributyl-[(E)-octadec-9-enyl]phosphanium (PubChem CID 18185844) has the molecular formula C30H62P+ and a molecular weight of 453.80 g/mol. Its IUPAC name is tributyl-[(E)-octadec-9-enyl]phosphanium.

Molecular Properties

Compound Nametributyl-[(E)-octadec-9-enyl]phosphanium
PubChem CID18185844
Molecular FormulaC30H62P+
Molecular Weight453.80 g/mol
Exact Mass453.46
IUPAC Nametributyl-[(E)-octadec-9-enyl]phosphanium
SMILESCCCCCCCC/C=C/CCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C30H62P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27-10-6-2,28-11-7-3)29-12-8-4/h18-19H,5-17,20-30H2,1-4H3/q+1/b19-18+
InChIKeyVBOZUMIHXLXGNU-VHEBQXMUSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 511.44
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

tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
azane;tributyl(hexadecyl)phosphanium
CID 172712894
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
tributyl(pentadecyl)phosphanium bromide
CID 86639781
dibutyl(didecyl)phosphanium iodide
CID 87776919
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-octadec-9-enyl]phosphanium?
The IUPAC name of tributyl-[(E)-octadec-9-enyl]phosphanium (CID 18185844) is tributyl-[(E)-octadec-9-enyl]phosphanium.
What is the SMILES notation for tributyl-[(E)-octadec-9-enyl]phosphanium?
The canonical SMILES for tributyl-[(E)-octadec-9-enyl]phosphanium is CCCCCCCC/C=C/CCCCCCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-octadec-9-enyl]phosphanium?
The InChIKey is VBOZUMIHXLXGNU-VHEBQXMUSA-N. The full InChI is InChI=1S/C30H62P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27-10-6-2,28-11-7-3)29-12-8-4/h18-19H,5-17,20-30H2,1-4H3/q+1/b19-18+.
What are the key properties of tributyl-[(E)-octadec-9-enyl]phosphanium?
tributyl-[(E)-octadec-9-enyl]phosphanium has a molecular weight of 453.80 g/mol, XLogP of 11.44, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-octadec-9-enyl]phosphanium is sourced from PubChem (CID 18185844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).