but-3-enyl-ethoxy-oxophosphanium

C6H12O2P+ — CID 57055888

IUPACbut-3-enyl-ethoxy-oxophosphanium
SMILESC=CCC[P+](=O)OCC
InChIInChI=1S/C6H12O2P/c1-3-5-6-9(7)8-4-2/h3H,1,4-6H2,2H3/q+1
InChIKeyHQTKSMKOIFXLIK-UHFFFAOYSA-N
MW147.13 g/mol
LogP2.34
Rot. Bonds5

About but-3-enyl-ethoxy-oxophosphanium

but-3-enyl-ethoxy-oxophosphanium (PubChem CID 57055888) has the molecular formula C6H12O2P+ and a molecular weight of 147.13 g/mol. Its IUPAC name is but-3-enyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Namebut-3-enyl-ethoxy-oxophosphanium
PubChem CID57055888
Molecular FormulaC6H12O2P+
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Namebut-3-enyl-ethoxy-oxophosphanium
SMILESC=CCC[P+](=O)OCC
InChIInChI=1S/C6H12O2P/c1-3-5-6-9(7)8-4-2/h3H,1,4-6H2,2H3/q+1
InChIKeyHQTKSMKOIFXLIK-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-ethoxy-oxophosphanium?
The IUPAC name of but-3-enyl-ethoxy-oxophosphanium (CID 57055888) is but-3-enyl-ethoxy-oxophosphanium.
What is the SMILES notation for but-3-enyl-ethoxy-oxophosphanium?
The canonical SMILES for but-3-enyl-ethoxy-oxophosphanium is C=CCC[P+](=O)OCC.
What is the InChIKey of but-3-enyl-ethoxy-oxophosphanium?
The InChIKey is HQTKSMKOIFXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2P/c1-3-5-6-9(7)8-4-2/h3H,1,4-6H2,2H3/q+1.
What are the key properties of but-3-enyl-ethoxy-oxophosphanium?
but-3-enyl-ethoxy-oxophosphanium has a molecular weight of 147.13 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-ethoxy-oxophosphanium is sourced from PubChem (CID 57055888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).