ethoxy-ethyl-oxophosphanium

C4H10O2P+ — CID 10374454

IUPACethoxy-ethyl-oxophosphanium
SMILESCCO[P+](=O)CC
InChIInChI=1S/C4H10O2P/c1-3-6-7(5)4-2/h3-4H2,1-2H3/q+1
InChIKeyLCYFYQKCANSCKH-UHFFFAOYSA-N
MW121.10 g/mol
LogP1.79
Rot. Bonds3

About ethoxy-ethyl-oxophosphanium

ethoxy-ethyl-oxophosphanium (PubChem CID 10374454) has the molecular formula C4H10O2P+ and a molecular weight of 121.10 g/mol. Its IUPAC name is ethoxy-ethyl-oxophosphanium.

Molecular Properties

Compound Nameethoxy-ethyl-oxophosphanium
PubChem CID10374454
Molecular FormulaC4H10O2P+
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Nameethoxy-ethyl-oxophosphanium
SMILESCCO[P+](=O)CC
InChIInChI=1S/C4H10O2P/c1-3-6-7(5)4-2/h3-4H2,1-2H3/q+1
InChIKeyLCYFYQKCANSCKH-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-ethyl-oxophosphanium?
The IUPAC name of ethoxy-ethyl-oxophosphanium (CID 10374454) is ethoxy-ethyl-oxophosphanium.
What is the SMILES notation for ethoxy-ethyl-oxophosphanium?
The canonical SMILES for ethoxy-ethyl-oxophosphanium is CCO[P+](=O)CC.
What is the InChIKey of ethoxy-ethyl-oxophosphanium?
The InChIKey is LCYFYQKCANSCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2P/c1-3-6-7(5)4-2/h3-4H2,1-2H3/q+1.
What are the key properties of ethoxy-ethyl-oxophosphanium?
ethoxy-ethyl-oxophosphanium has a molecular weight of 121.10 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-oxophosphanium is sourced from PubChem (CID 10374454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).