ethyl-oxo-(2-phenylphosphanylethyl)phosphanium

C10H15OP2+ — CID 23566003

IUPACethyl-oxo-(2-phenylphosphanylethyl)phosphanium
SMILESCC[P+](=O)CCPc1ccccc1
InChIInChI=1S/C10H15OP2/c1-2-13(11)9-8-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/q+1
InChIKeyDJCXGXYNODWWLB-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.84
Rot. Bonds5

About ethyl-oxo-(2-phenylphosphanylethyl)phosphanium

ethyl-oxo-(2-phenylphosphanylethyl)phosphanium (PubChem CID 23566003) has the molecular formula C10H15OP2+ and a molecular weight of 213.18 g/mol. Its IUPAC name is ethyl-oxo-(2-phenylphosphanylethyl)phosphanium.

Molecular Properties

Compound Nameethyl-oxo-(2-phenylphosphanylethyl)phosphanium
PubChem CID23566003
Molecular FormulaC10H15OP2+
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Nameethyl-oxo-(2-phenylphosphanylethyl)phosphanium
SMILESCC[P+](=O)CCPc1ccccc1
InChIInChI=1S/C10H15OP2/c1-2-13(11)9-8-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/q+1
InChIKeyDJCXGXYNODWWLB-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.84
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

ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium
CID 23566001
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
CID 18446087
diphenylphosphane;ethyl-oxo-phenylphosphanium
CID 174463449
ethane;ethyl(phenyl)phosphane;neodymium
CID 87739299
butyl(phenyl)phosphane;cyanamide
CID 139534681
6-phenylphosphanylhexanoic acid
CID 159172711
(2,2-dimethyl-3-phenylphosphanylpropyl)-phenylphosphane
CID 87575767
methylsilylmethyl(phenyl)phosphane
CID 175226266
ethane;ethanesulfonic acid;phenyl-[[2-[2-(phenylphosphanylmethyl)phenyl]phenyl]methyl]phosphane
CID 91103449

Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-(2-phenylphosphanylethyl)phosphanium?
The IUPAC name of ethyl-oxo-(2-phenylphosphanylethyl)phosphanium (CID 23566003) is ethyl-oxo-(2-phenylphosphanylethyl)phosphanium.
What is the SMILES notation for ethyl-oxo-(2-phenylphosphanylethyl)phosphanium?
The canonical SMILES for ethyl-oxo-(2-phenylphosphanylethyl)phosphanium is CC[P+](=O)CCPc1ccccc1.
What is the InChIKey of ethyl-oxo-(2-phenylphosphanylethyl)phosphanium?
The InChIKey is DJCXGXYNODWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OP2/c1-2-13(11)9-8-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/q+1.
What are the key properties of ethyl-oxo-(2-phenylphosphanylethyl)phosphanium?
ethyl-oxo-(2-phenylphosphanylethyl)phosphanium has a molecular weight of 213.18 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-(2-phenylphosphanylethyl)phosphanium is sourced from PubChem (CID 23566003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).