cyclopentyl(triphenyl)phosphanium;heptanoate

C30H37O2P — CID 19082498

IUPACcyclopentyl(triphenyl)phosphanium;heptanoate
SMILESCCCCCCC(=O)[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C23H24P.C7H14O2/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-2-3-4-5-6-7(8)9/h1-9,12-17,23H,10-11,18-19H2;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyDPDBXEBGVSEAKR-UHFFFAOYSA-M
MW460.60 g/mol
LogP5.63
Rot. Bonds9

About cyclopentyl(triphenyl)phosphanium;heptanoate

cyclopentyl(triphenyl)phosphanium;heptanoate (PubChem CID 19082498) has the molecular formula C30H37O2P and a molecular weight of 460.60 g/mol. Its IUPAC name is cyclopentyl(triphenyl)phosphanium;heptanoate.

Molecular Properties

Compound Namecyclopentyl(triphenyl)phosphanium;heptanoate
PubChem CID19082498
Molecular FormulaC30H37O2P
Molecular Weight460.60 g/mol
Exact Mass460.25
IUPAC Namecyclopentyl(triphenyl)phosphanium;heptanoate
SMILESCCCCCCC(=O)[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C23H24P.C7H14O2/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-2-3-4-5-6-7(8)9/h1-9,12-17,23H,10-11,18-19H2;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyDPDBXEBGVSEAKR-UHFFFAOYSA-M
XLogP5.63
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl(triphenyl)phosphanium;heptanoate
CID 19082518
benzyl(triphenyl)phosphanium;octadecanoate
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decanoate;phenylmercury(1+)
CID 70457724
heptanoate;triphenylsulfanium
CID 87067214
phenylazanium;undecanoate
CID 139301589
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
cerium(3+);octanoate
CID 21123895
cerium(3+);tris(heptadecanoate)
CID 109374153
barium(2+);bis(7-phenyloctadecanoate)
CID 101320086
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
hexanoate;triphenylazanium
CID 139301475
(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate
CID 131851748

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(triphenyl)phosphanium;heptanoate?
The IUPAC name of cyclopentyl(triphenyl)phosphanium;heptanoate (CID 19082498) is cyclopentyl(triphenyl)phosphanium;heptanoate.
What is the SMILES notation for cyclopentyl(triphenyl)phosphanium;heptanoate?
The canonical SMILES for cyclopentyl(triphenyl)phosphanium;heptanoate is CCCCCCC(=O)[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl(triphenyl)phosphanium;heptanoate?
The InChIKey is DPDBXEBGVSEAKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24P.C7H14O2/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-2-3-4-5-6-7(8)9/h1-9,12-17,23H,10-11,18-19H2;2-6H2,1H3,(H,8,9)/q+1;/p-1.
What are the key properties of cyclopentyl(triphenyl)phosphanium;heptanoate?
cyclopentyl(triphenyl)phosphanium;heptanoate has a molecular weight of 460.60 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(triphenyl)phosphanium;heptanoate is sourced from PubChem (CID 19082498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).