oxo-pentyl-phenoxyphosphanium

C11H16O2P+ — CID 67135329

IUPACoxo-pentyl-phenoxyphosphanium
SMILESCCCCC[P+](=O)Oc1ccccc1
InChIInChI=1S/C11H16O2P/c1-2-3-7-10-14(12)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3/q+1
InChIKeyPETZAJULECBIFH-UHFFFAOYSA-N
MW211.22 g/mol
LogP4.00
Rot. Bonds6

About oxo-pentyl-phenoxyphosphanium

oxo-pentyl-phenoxyphosphanium (PubChem CID 67135329) has the molecular formula C11H16O2P+ and a molecular weight of 211.22 g/mol. Its IUPAC name is oxo-pentyl-phenoxyphosphanium.

Molecular Properties

Compound Nameoxo-pentyl-phenoxyphosphanium
PubChem CID67135329
Molecular FormulaC11H16O2P+
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Nameoxo-pentyl-phenoxyphosphanium
SMILESCCCCC[P+](=O)Oc1ccccc1
InChIInChI=1S/C11H16O2P/c1-2-3-7-10-14(12)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3/q+1
InChIKeyPETZAJULECBIFH-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 54.00
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

hexyl-oxo-phenoxyphosphanium
CID 67135564
cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
oxo-phenoxy-undecoxyphosphanium
CID 67392956
2-carboxyethyl-oxo-phenoxyphosphanium;zinc
CID 174937996
chloromethyl-oxo-phenoxyphosphanium
CID 174746789
butyl-oxo-phenylsulfanyloxyphosphanium
CID 175377356
benzyl-octyl-oxophosphanium
CID 19938725
oxo-phenoxy-phosphanylphosphanium
CID 154139481
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium
CID 177438388
undecan-6-yloxybenzene
CID 130316504

Frequently Asked Questions

What is the IUPAC name of oxo-pentyl-phenoxyphosphanium?
The IUPAC name of oxo-pentyl-phenoxyphosphanium (CID 67135329) is oxo-pentyl-phenoxyphosphanium.
What is the SMILES notation for oxo-pentyl-phenoxyphosphanium?
The canonical SMILES for oxo-pentyl-phenoxyphosphanium is CCCCC[P+](=O)Oc1ccccc1.
What is the InChIKey of oxo-pentyl-phenoxyphosphanium?
The InChIKey is PETZAJULECBIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2P/c1-2-3-7-10-14(12)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3/q+1.
What are the key properties of oxo-pentyl-phenoxyphosphanium?
oxo-pentyl-phenoxyphosphanium has a molecular weight of 211.22 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-pentyl-phenoxyphosphanium is sourced from PubChem (CID 67135329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).