methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate

C13H30BF4P — CID 157046059

IUPACmethyl-tris(2-methylpropyl)phosphanium tetrafluoroborate
SMILESCC(C)C[P+](C)(CC(C)C)CC(C)C.F[B-](F)(F)F
InChIInChI=1S/C13H30P.BF4/c1-11(2)8-14(7,9-12(3)4)10-13(5)6;2-1(3,4)5/h11-13H,8-10H2,1-7H3;/q+1;-1
InChIKeyYDRHCZYJNSLBMZ-UHFFFAOYSA-N
MW304.16 g/mol
LogP5.90
Rot. Bonds6

About methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate

methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate (PubChem CID 157046059) has the molecular formula C13H30BF4P and a molecular weight of 304.16 g/mol. Its IUPAC name is methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Namemethyl-tris(2-methylpropyl)phosphanium tetrafluoroborate
PubChem CID157046059
Molecular FormulaC13H30BF4P
Molecular Weight304.16 g/mol
Exact Mass304.21
IUPAC Namemethyl-tris(2-methylpropyl)phosphanium tetrafluoroborate
SMILESCC(C)C[P+](C)(CC(C)C)CC(C)C.F[B-](F)(F)F
InChIInChI=1S/C13H30P.BF4/c1-11(2)8-14(7,9-12(3)4)10-13(5)6;2-1(3,4)5/h11-13H,8-10H2,1-7H3;/q+1;-1
InChIKeyYDRHCZYJNSLBMZ-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.16
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate
CID 139121174
2,3-dimethylbutane tetrafluoroborate
CID 174871894
2,4-dimethylpentane
CID 157050020
ethyl(tripentyl)phosphanium tetrafluoroborate
CID 18769296
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
1-hydroxyethylazanium tetrafluoroborate
CID 87299825
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
2,4-dimethylpentane;methane
CID 159476318
1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate
CID 175449406
2,4-dimethylpentane;pentane
CID 161023213
methyl-tris(2-methylbutyl)phosphanium
CID 18415083
acetonitrile;nonane;tetrafluoroborate
CID 175569585

Frequently Asked Questions

What is the IUPAC name of methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate?
The IUPAC name of methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate (CID 157046059) is methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate.
What is the SMILES notation for methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate?
The canonical SMILES for methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate is CC(C)C[P+](C)(CC(C)C)CC(C)C.F[B-](F)(F)F.
What is the InChIKey of methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate?
The InChIKey is YDRHCZYJNSLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P.BF4/c1-11(2)8-14(7,9-12(3)4)10-13(5)6;2-1(3,4)5/h11-13H,8-10H2,1-7H3;/q+1;-1.
What are the key properties of methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate?
methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate has a molecular weight of 304.16 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 157046059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).