diethoxy(oxo)phosphanium;1,4-xylene

C12H20O3P+ — CID 68978726

IUPACdiethoxy(oxo)phosphanium;1,4-xylene
SMILESCCO[P+](=O)OCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C4H10O3P/c1-7-3-5-8(2)6-4-7;1-3-6-8(5)7-4-2/h3-6H,1-2H3;3-4H2,1-2H3/q;+1
InChIKeyROUDUPLYTSYHPE-UHFFFAOYSA-N
MW243.26 g/mol
LogP4.02
Rot. Bonds4

About diethoxy(oxo)phosphanium;1,4-xylene

diethoxy(oxo)phosphanium;1,4-xylene (PubChem CID 68978726) has the molecular formula C12H20O3P+ and a molecular weight of 243.26 g/mol. Its IUPAC name is diethoxy(oxo)phosphanium;1,4-xylene.

Molecular Properties

Compound Namediethoxy(oxo)phosphanium;1,4-xylene
PubChem CID68978726
Molecular FormulaC12H20O3P+
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namediethoxy(oxo)phosphanium;1,4-xylene
SMILESCCO[P+](=O)OCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C4H10O3P/c1-7-3-5-8(2)6-4-7;1-3-6-8(5)7-4-2/h3-6H,1-2H3;3-4H2,1-2H3/q;+1
InChIKeyROUDUPLYTSYHPE-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy(oxo)phosphanium;1,4-xylene?
The IUPAC name of diethoxy(oxo)phosphanium;1,4-xylene (CID 68978726) is diethoxy(oxo)phosphanium;1,4-xylene.
What is the SMILES notation for diethoxy(oxo)phosphanium;1,4-xylene?
The canonical SMILES for diethoxy(oxo)phosphanium;1,4-xylene is CCO[P+](=O)OCC.Cc1ccc(C)cc1.
What is the InChIKey of diethoxy(oxo)phosphanium;1,4-xylene?
The InChIKey is ROUDUPLYTSYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H10O3P/c1-7-3-5-8(2)6-4-7;1-3-6-8(5)7-4-2/h3-6H,1-2H3;3-4H2,1-2H3/q;+1.
What are the key properties of diethoxy(oxo)phosphanium;1,4-xylene?
diethoxy(oxo)phosphanium;1,4-xylene has a molecular weight of 243.26 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)phosphanium;1,4-xylene is sourced from PubChem (CID 68978726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).