methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate

C24H29BF4P- — CID 174530893

IUPACmethyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
SMILESCCCCCP(C)(c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C24H29P.BF4/c1-3-4-14-21-25(2,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;2-1(3,4)5/h5-13,15-20H,3-4,14,21H2,1-2H3;/q;-1
InChIKeyWVSJNJZVGGDPON-UHFFFAOYSA-N
MW435.27 g/mol
LogP6.64
Rot. Bonds7

About methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate

methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate (PubChem CID 174530893) has the molecular formula C24H29BF4P- and a molecular weight of 435.27 g/mol. Its IUPAC name is methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate.

Molecular Properties

Compound Namemethyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
PubChem CID174530893
Molecular FormulaC24H29BF4P-
Molecular Weight435.27 g/mol
Exact Mass435.20
IUPAC Namemethyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
SMILESCCCCCP(C)(c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C24H29P.BF4/c1-3-4-14-21-25(2,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;2-1(3,4)5/h5-13,15-20H,3-4,14,21H2,1-2H3;/q;-1
InChIKeyWVSJNJZVGGDPON-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.27
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
1,1'-biphenyl;hexadecane
CID 173308514
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074
fluorobenzene;hexane
CID 158112243
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604

Frequently Asked Questions

What is the IUPAC name of methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate?
The IUPAC name of methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate (CID 174530893) is methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate.
What is the SMILES notation for methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate?
The canonical SMILES for methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate is CCCCCP(C)(c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate?
The InChIKey is WVSJNJZVGGDPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29P.BF4/c1-3-4-14-21-25(2,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;2-1(3,4)5/h5-13,15-20H,3-4,14,21H2,1-2H3;/q;-1.
What are the key properties of methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate?
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate has a molecular weight of 435.27 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate is sourced from PubChem (CID 174530893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).