diphenylphosphinate;trihexyl(methyl)phosphanium

C31H52O2P2 — CID 18979396

IUPACdiphenylphosphinate;trihexyl(methyl)phosphanium
SMILESCCCCCC[P+](C)(CCCCCC)CCCCCC.O=P([O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H42P.C12H11O2P/c1-5-8-11-14-17-20(4,18-15-12-9-6-2)19-16-13-10-7-3;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-19H2,1-4H3;1-10H,(H,13,14)/q+1;/p-1
InChIKeyLZXUSTXNGCYYBQ-UHFFFAOYSA-M
MW518.70 g/mol
LogP8.65
Rot. Bonds17

About diphenylphosphinate;trihexyl(methyl)phosphanium

diphenylphosphinate;trihexyl(methyl)phosphanium (PubChem CID 18979396) has the molecular formula C31H52O2P2 and a molecular weight of 518.70 g/mol. Its IUPAC name is diphenylphosphinate;trihexyl(methyl)phosphanium.

Molecular Properties

Compound Namediphenylphosphinate;trihexyl(methyl)phosphanium
PubChem CID18979396
Molecular FormulaC31H52O2P2
Molecular Weight518.70 g/mol
Exact Mass518.34
IUPAC Namediphenylphosphinate;trihexyl(methyl)phosphanium
SMILESCCCCCC[P+](C)(CCCCCC)CCCCCC.O=P([O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H42P.C12H11O2P/c1-5-8-11-14-17-20(4,18-15-12-9-6-2)19-16-13-10-7-3;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-19H2,1-4H3;1-10H,(H,13,14)/q+1;/p-1
InChIKeyLZXUSTXNGCYYBQ-UHFFFAOYSA-M
XLogP8.65
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 58.65
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

[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
lithium diphenylphosphinate
CID 23680317
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
butyl(phenyl)phosphinate
CID 51386598
dioxido-oxo-phenyl-λ5-phosphane;bis(tetrabutylazanium)
CID 66628068
azane;dihydrogen phosphate;hexadecyl-(3-hydroxy-1-phenylpropyl)-dimethylazanium
CID 175241378
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
decyl-dimethyl-phenylphosphanium
CID 67813887
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840

Frequently Asked Questions

What is the IUPAC name of diphenylphosphinate;trihexyl(methyl)phosphanium?
The IUPAC name of diphenylphosphinate;trihexyl(methyl)phosphanium (CID 18979396) is diphenylphosphinate;trihexyl(methyl)phosphanium.
What is the SMILES notation for diphenylphosphinate;trihexyl(methyl)phosphanium?
The canonical SMILES for diphenylphosphinate;trihexyl(methyl)phosphanium is CCCCCC[P+](C)(CCCCCC)CCCCCC.O=P([O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphinate;trihexyl(methyl)phosphanium?
The InChIKey is LZXUSTXNGCYYBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42P.C12H11O2P/c1-5-8-11-14-17-20(4,18-15-12-9-6-2)19-16-13-10-7-3;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-19H2,1-4H3;1-10H,(H,13,14)/q+1;/p-1.
What are the key properties of diphenylphosphinate;trihexyl(methyl)phosphanium?
diphenylphosphinate;trihexyl(methyl)phosphanium has a molecular weight of 518.70 g/mol, XLogP of 8.65, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinate;trihexyl(methyl)phosphanium is sourced from PubChem (CID 18979396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).