butyl-ethyl-oxophosphanium

C6H14OP+ — CID 154126578

IUPACbutyl-ethyl-oxophosphanium
SMILESCCCC[P+](=O)CC
InChIInChI=1S/C6H14OP/c1-3-5-6-8(7)4-2/h3-6H2,1-2H3/q+1
InChIKeyHDHLVNBLZQCWHZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.63
Rot. Bonds4

About butyl-ethyl-oxophosphanium

butyl-ethyl-oxophosphanium (PubChem CID 154126578) has the molecular formula C6H14OP+ and a molecular weight of 133.15 g/mol. Its IUPAC name is butyl-ethyl-oxophosphanium.

Molecular Properties

Compound Namebutyl-ethyl-oxophosphanium
PubChem CID154126578
Molecular FormulaC6H14OP+
Molecular Weight133.15 g/mol
Exact Mass133.08
IUPAC Namebutyl-ethyl-oxophosphanium
SMILESCCCC[P+](=O)CC
InChIInChI=1S/C6H14OP/c1-3-5-6-8(7)4-2/h3-6H2,1-2H3/q+1
InChIKeyHDHLVNBLZQCWHZ-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium
CID 90764185
2-hydroxypropyl-oxo-pentadecylphosphanium
CID 151683091
2-hydroxypropyl-oxo-undecylphosphanium
CID 173360808
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
chromium(2+);bis(oxido-oxo-pentylphosphanium)
CID 18626741
butyl-heptoxy-oxophosphanium
CID 22497580
ethene;pentane
CID 54525676
acetic acid;diethyl(oxo)phosphanium
CID 175760188
octane;oxotin;hydrochloride
CID 173066555
benzyl-octyl-oxophosphanium
CID 19938725
hydroxy-octyl-oxophosphanium;nickel
CID 87136142

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-oxophosphanium?
The IUPAC name of butyl-ethyl-oxophosphanium (CID 154126578) is butyl-ethyl-oxophosphanium.
What is the SMILES notation for butyl-ethyl-oxophosphanium?
The canonical SMILES for butyl-ethyl-oxophosphanium is CCCC[P+](=O)CC.
What is the InChIKey of butyl-ethyl-oxophosphanium?
The InChIKey is HDHLVNBLZQCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OP/c1-3-5-6-8(7)4-2/h3-6H2,1-2H3/q+1.
What are the key properties of butyl-ethyl-oxophosphanium?
butyl-ethyl-oxophosphanium has a molecular weight of 133.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-oxophosphanium is sourced from PubChem (CID 154126578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).