oxo(pentyl)phosphanium

C5H12OP+ — CID 154082405

IUPACoxo(pentyl)phosphanium
SMILESCCCCC[PH+]=O
InChIInChI=1S/C5H11OP/c1-2-3-4-5-7-6/h2-5H2,1H3/p+1
InChIKeyHQWANBGPKQPNPC-UHFFFAOYSA-O
MW119.12 g/mol
LogP2.20
Rot. Bonds4

About oxo(pentyl)phosphanium

oxo(pentyl)phosphanium (PubChem CID 154082405) has the molecular formula C5H12OP+ and a molecular weight of 119.12 g/mol. Its IUPAC name is oxo(pentyl)phosphanium.

Molecular Properties

Compound Nameoxo(pentyl)phosphanium
PubChem CID154082405
Molecular FormulaC5H12OP+
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Nameoxo(pentyl)phosphanium
SMILESCCCCC[PH+]=O
InChIInChI=1S/C5H11OP/c1-2-3-4-5-7-6/h2-5H2,1H3/p+1
InChIKeyHQWANBGPKQPNPC-UHFFFAOYSA-O
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

diazomethane;oxo(pentyl)phosphanium
CID 173327682
pentyl(selanylidene)phosphanium
CID 173256163
hexane;oxomercury
CID 174814256
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of oxo(pentyl)phosphanium?
The IUPAC name of oxo(pentyl)phosphanium (CID 154082405) is oxo(pentyl)phosphanium.
What is the SMILES notation for oxo(pentyl)phosphanium?
The canonical SMILES for oxo(pentyl)phosphanium is CCCCC[PH+]=O.
What is the InChIKey of oxo(pentyl)phosphanium?
The InChIKey is HQWANBGPKQPNPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11OP/c1-2-3-4-5-7-6/h2-5H2,1H3/p+1.
What are the key properties of oxo(pentyl)phosphanium?
oxo(pentyl)phosphanium has a molecular weight of 119.12 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(pentyl)phosphanium is sourced from PubChem (CID 154082405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).